PubChemLite - 2-[4-(cyclobutylmethoxy)phenyl]-n-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (C32H38N6O)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=CC=C(C3=CC(=NN23)C4=CC=C(C=C4)OCC5CCC5)C6=NC(=NC=C6)NC7CCCC7

InChI

InChI=1S/C32H38N6O/c1-2-9-24(8-1)34-31-17-16-27(28-18-19-33-32(36-28)35-25-10-3-4-11-25)30-20-29(37-38(30)31)23-12-14-26(15-13-23)39-21-22-6-5-7-22/h12-20,22,24-25,34H,1-11,21H2,(H,33,35,36)

InChIKey

DLGRQJPZHZRDNQ-UHFFFAOYSA-N

Compound name

2-[4-(cyclobutylmethoxy)phenyl]-N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-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]+	523.31798	209.6
[M+Na]+	545.29992	209.8
[M-H]-	521.30342	222.9
[M+NH4]+	540.34452	208.4
[M+K]+	561.27386	205.8
[M+H-H2O]+	505.30796	191.2
[M+HCOO]-	567.30890	224.4
[M+CH3COO]-	581.32455	214.7
[M+Na-2H]-	543.28537	204.0
[M]+	522.31015	213.7
[M]-	522.31125	213.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.31798

209.6

[M+Na]+

545.29992

209.8

[M-H]-

521.30342

222.9

[M+NH4]+

540.34452

208.4

[M+K]+

561.27386

205.8

[M+H-H2O]+

505.30796

191.2

[M+HCOO]-

567.30890

224.4

[M+CH3COO]-

581.32455

214.7

[M+Na-2H]-

543.28537

204.0

[M]+

522.31015

213.7

[M]-

522.31125

213.7

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

2-[4-(cyclobutylmethoxy)phenyl]-n-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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