PubChemLite - 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-n-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine (C35H43N7)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=CC=CN3C2=NC(=C3C4=NC(=NC=C4)NC5CCCC5)C6=CC(=CC=C6)N(CC7CC7)CC8CC8

InChI

InChI=1S/C35H43N7/c1-2-9-27(8-1)37-31-13-6-20-42-33(30-18-19-36-35(39-30)38-28-10-3-4-11-28)32(40-34(31)42)26-7-5-12-29(21-26)41(22-24-14-15-24)23-25-16-17-25/h5-7,12-13,18-21,24-25,27-28,37H,1-4,8-11,14-17,22-23H2,(H,36,38,39)

InChIKey

NJQHGIUYPDLKAA-UHFFFAOYSA-N

Compound name

2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	562.36528	211.3
[M+Na]+	584.34722	213.1
[M-H]-	560.35072	225.4
[M+NH4]+	579.39182	206.5
[M+K]+	600.32116	206.1
[M+H-H2O]+	544.35526	204.0
[M+HCOO]-	606.35620	227.5
[M+CH3COO]-	620.37185	214.9
[M+Na-2H]-	582.33267	205.6
[M]+	561.35745	211.2
[M]-	561.35855	211.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

562.36528

211.3

[M+Na]+

584.34722

213.1

[M-H]-

560.35072

225.4

[M+NH4]+

579.39182

206.5

[M+K]+

600.32116

206.1

[M+H-H2O]+

544.35526

204.0

[M+HCOO]-

606.35620

227.5

[M+CH3COO]-

620.37185

214.9

[M+Na-2H]-

582.33267

205.6

[M]+

561.35745

211.2

[M]-

561.35855

211.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-[3-[bis(cyclopropylmethyl)amino]phenyl]-n-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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