PubChemLite - 4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (C28H31N7O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C28H31N7O/c29-26(36)19-13-11-18(12-14-19)24-25(22-15-16-30-28(33-22)32-21-8-3-4-9-21)35-17-5-10-23(27(35)34-24)31-20-6-1-2-7-20/h5,10-17,20-21,31H,1-4,6-9H2,(H2,29,36)(H,30,32,33)

InChIKey

XITLNGCAGGELBZ-UHFFFAOYSA-N

Compound name

4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[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]+	482.26628	203.7
[M+Na]+	504.24822	206.8
[M-H]-	480.25172	216.0
[M+NH4]+	499.29282	210.0
[M+K]+	520.22216	199.8
[M+H-H2O]+	464.25626	191.7
[M+HCOO]-	526.25720	221.7
[M+CH3COO]-	540.27285	210.5
[M+Na-2H]-	502.23367	200.4
[M]+	481.25845	199.1
[M]-	481.25955	199.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.26628

203.7

[M+Na]+

504.24822

206.8

[M-H]-

480.25172

216.0

[M+NH4]+

499.29282

210.0

[M+K]+

520.22216

199.8

[M+H-H2O]+

464.25626

191.7

[M+HCOO]-

526.25720

221.7

[M+CH3COO]-

540.27285

210.5

[M+Na-2H]-

502.23367

200.4

[M]+

481.25845

199.1

[M]-

481.25955

199.1

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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