PubChemLite - Chembl231556 (C27H29FN6)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=CN3C(=NC(=C3C4=NC(=NC=C4)NC5CCCC5)C6=CC=C(C=C6)F)C=C2

InChI

InChI=1S/C27H29FN6/c28-19-11-9-18(10-12-19)25-26(23-15-16-29-27(32-23)31-21-7-3-4-8-21)34-17-22(13-14-24(34)33-25)30-20-5-1-2-6-20/h9-17,20-21,30H,1-8H2,(H,29,31,32)

InChIKey

GFFDBCUDTYKXCG-UHFFFAOYSA-N

Compound name

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-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]+	457.25105	200.6
[M+Na]+	479.23299	205.6
[M-H]-	455.23649	211.7
[M+NH4]+	474.27759	208.6
[M+K]+	495.20693	197.3
[M+H-H2O]+	439.24103	187.3
[M+HCOO]-	501.24197	218.0
[M+CH3COO]-	515.25762	208.0
[M+Na-2H]-	477.21844	197.0
[M]+	456.24322	196.0
[M]-	456.24432	196.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.25105

200.6

[M+Na]+

479.23299

205.6

[M-H]-

455.23649

211.7

[M+NH4]+

474.27759

208.6

[M+K]+

495.20693

197.3

[M+H-H2O]+

439.24103

187.3

[M+HCOO]-

501.24197

218.0

[M+CH3COO]-

515.25762

208.0

[M+Na-2H]-

477.21844

197.0

[M]+

456.24322

196.0

[M]-

456.24432

196.0

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

Chembl231556

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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