PubChemLite - N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-amine (C28H28F4N6)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=CC(=CN3C2=NC(=C3C4=NC(=NC=C4)NC5CCCC5)C6=CC=C(C=C6)F)C(F)(F)F

InChI

InChI=1S/C28H28F4N6/c29-19-11-9-17(10-12-19)24-25(22-13-14-33-27(36-22)35-21-7-3-4-8-21)38-16-18(28(30,31)32)15-23(26(38)37-24)34-20-5-1-2-6-20/h9-16,20-21,34H,1-8H2,(H,33,35,36)

InChIKey

XYMXRVADPIBKBK-UHFFFAOYSA-N

Compound name

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6-(trifluoromethyl)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]+	525.23842	215.3
[M+Na]+	547.22036	221.3
[M-H]-	523.22386	223.2
[M+NH4]+	542.26496	220.9
[M+K]+	563.19430	212.0
[M+H-H2O]+	507.22840	200.3
[M+HCOO]-	569.22934	227.6
[M+CH3COO]-	583.24499	221.0
[M+Na-2H]-	545.20581	210.1
[M]+	524.23059	208.3
[M]-	524.23169	208.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.23842

215.3

[M+Na]+

547.22036

221.3

[M-H]-

523.22386

223.2

[M+NH4]+

542.26496

220.9

[M+K]+

563.19430

212.0

[M+H-H2O]+

507.22840

200.3

[M+HCOO]-

569.22934

227.6

[M+CH3COO]-

583.24499

221.0

[M+Na-2H]-

545.20581

210.1

[M]+

524.23059

208.3

[M]-

524.23169

208.3

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

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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