PubChemLite - N-[3-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide (C29H33N7O)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=CC=CC(=C1)C2=NN3C(=CC=C(C3=C2)C4=NC(=NC=C4)NC5CCCC5)NC6CCCC6

InChI

InChI=1S/C29H33N7O/c1-19(37)31-23-12-6-7-20(17-23)26-18-27-24(13-14-28(36(27)35-26)32-21-8-2-3-9-21)25-15-16-30-29(34-25)33-22-10-4-5-11-22/h6-7,12-18,21-22,32H,2-5,8-11H2,1H3,(H,31,37)(H,30,33,34)

InChIKey

IBUCOZCWCZEYBR-UHFFFAOYSA-N

Compound name

N-[3-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide

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]+	496.28194	208.2
[M+Na]+	518.26388	210.8
[M-H]-	494.26738	220.6
[M+NH4]+	513.30848	214.1
[M+K]+	534.23782	203.9
[M+H-H2O]+	478.27192	195.8
[M+HCOO]-	540.27286	226.4
[M+CH3COO]-	554.28851	214.7
[M+Na-2H]-	516.24933	205.1
[M]+	495.27411	204.6
[M]-	495.27521	204.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.28194

208.2

[M+Na]+

518.26388

210.8

[M-H]-

494.26738

220.6

[M+NH4]+

513.30848

214.1

[M+K]+

534.23782

203.9

[M+H-H2O]+

478.27192

195.8

[M+HCOO]-

540.27286

226.4

[M+CH3COO]-

554.28851

214.7

[M+Na-2H]-

516.24933

205.1

[M]+

495.27411

204.6

[M]-

495.27521

204.6

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

N-[3-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe