PubChemLite - Schembl5422886 (C26H30N6O)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C2=C(N3C=CC=C(C3=N2)NCCOC)C4=NC(=NC=C4)NC5CCCC5

InChI

InChI=1S/C26H30N6O/c1-18-9-11-19(12-10-18)23-24(21-13-14-28-26(30-21)29-20-6-3-4-7-20)32-16-5-8-22(25(32)31-23)27-15-17-33-2/h5,8-14,16,20,27H,3-4,6-7,15,17H2,1-2H3,(H,28,29,30)

InChIKey

DYLAIORIRDNGHX-UHFFFAOYSA-N

Compound name

3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)-2-(4-methylphenyl)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]+	443.25538	204.5
[M+Na]+	465.23732	210.7
[M-H]-	441.24082	213.7
[M+NH4]+	460.28192	211.8
[M+K]+	481.21126	202.9
[M+H-H2O]+	425.24536	191.6
[M+HCOO]-	487.24630	224.0
[M+CH3COO]-	501.26195	212.3
[M+Na-2H]-	463.22277	205.0
[M]+	442.24755	205.5
[M]-	442.24865	205.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.25538

204.5

[M+Na]+

465.23732

210.7

[M-H]-

441.24082

213.7

[M+NH4]+

460.28192

211.8

[M+K]+

481.21126

202.9

[M+H-H2O]+

425.24536

191.6

[M+HCOO]-

487.24630

224.0

[M+CH3COO]-

501.26195

212.3

[M+Na-2H]-

463.22277

205.0

[M]+

442.24755

205.5

[M]-

442.24865

205.5

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

Schembl5422886

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe