PubChemLite - Chembl231259 (C25H25FN6)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4NC5CC5)C6=CC=C(C=C6)F

InChI

InChI=1S/C25H25FN6/c26-17-9-7-16(8-10-17)22-23(20-13-14-27-25(30-20)29-18-4-1-2-5-18)32-15-3-6-21(24(32)31-22)28-19-11-12-19/h3,6-10,13-15,18-19,28H,1-2,4-5,11-12H2,(H,27,29,30)

InChIKey

LSTRFFKQHUBMHU-UHFFFAOYSA-N

Compound name

3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)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]+	429.21974	196.8
[M+Na]+	451.20168	205.7
[M-H]-	427.20518	207.4
[M+NH4]+	446.24628	200.3
[M+K]+	467.17562	195.6
[M+H-H2O]+	411.20972	185.0
[M+HCOO]-	473.21066	216.3
[M+CH3COO]-	487.22631	204.7
[M+Na-2H]-	449.18713	197.1
[M]+	428.21191	196.3
[M]-	428.21301	196.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.21974

196.8

[M+Na]+

451.20168

205.7

[M-H]-

427.20518

207.4

[M+NH4]+

446.24628

200.3

[M+K]+

467.17562

195.6

[M+H-H2O]+

411.20972

185.0

[M+HCOO]-

473.21066

216.3

[M+CH3COO]-

487.22631

204.7

[M+Na-2H]-

449.18713

197.1

[M]+

428.21191

196.3

[M]-

428.21301

196.3

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

Chembl231259

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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