PubChemLite - Schembl5422786 (C27H29N7O2)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4N5CCOCC5)C6=CC=C(C=C6)C(=O)N

InChI

InChI=1S/C27H29N7O2/c28-25(35)19-9-7-18(8-10-19)23-24(21-11-12-29-27(31-21)30-20-4-1-2-5-20)34-13-3-6-22(26(34)32-23)33-14-16-36-17-15-33/h3,6-13,20H,1-2,4-5,14-17H2,(H2,28,35)(H,29,30,31)

InChIKey

OHSONDFUJCMTMO-UHFFFAOYSA-N

Compound name

4-[3-[2-(cyclopentylamino)pyrimidin-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]benzamide

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]+	484.24556	209.8
[M+Na]+	506.22750	213.5
[M-H]-	482.23100	220.1
[M+NH4]+	501.27210	211.2
[M+K]+	522.20144	206.9
[M+H-H2O]+	466.23554	196.0
[M+HCOO]-	528.23648	222.1
[M+CH3COO]-	542.25213	215.3
[M+Na-2H]-	504.21295	207.1
[M]+	483.23773	204.8
[M]-	483.23883	204.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.24556

209.8

[M+Na]+

506.22750

213.5

[M-H]-

482.23100

220.1

[M+NH4]+

501.27210

211.2

[M+K]+

522.20144

206.9

[M+H-H2O]+

466.23554

196.0

[M+HCOO]-

528.23648

222.1

[M+CH3COO]-

542.25213

215.3

[M+Na-2H]-

504.21295

207.1

[M]+

483.23773

204.8

[M]-

483.23883

204.8

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

Schembl5422786

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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