PubChemLite - Schembl5407917 (C26H27N7O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H27N7O3/c34-33(35)20-8-3-5-18(17-20)23-24(21-10-11-27-26(29-21)28-19-6-1-2-7-19)32-12-4-9-22(25(32)30-23)31-13-15-36-16-14-31/h3-5,8-12,17,19H,1-2,6-7,13-16H2,(H,27,28,29)

InChIKey

XGNAKZXUNNMJLJ-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[8-morpholin-4-yl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-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]+	486.22481	207.7
[M+Na]+	508.20675	209.5
[M-H]-	484.21025	218.3
[M+NH4]+	503.25135	208.3
[M+K]+	524.18069	199.4
[M+H-H2O]+	468.21479	197.4
[M+HCOO]-	530.21573	221.0
[M+CH3COO]-	544.23138	233.2
[M+Na-2H]-	506.19220	209.6
[M]+	485.21698	201.4
[M]-	485.21808	201.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.22481

207.7

[M+Na]+

508.20675

209.5

[M-H]-

484.21025

218.3

[M+NH4]+

503.25135

208.3

[M+K]+

524.18069

199.4

[M+H-H2O]+

468.21479

197.4

[M+HCOO]-

530.21573

221.0

[M+CH3COO]-

544.23138

233.2

[M+Na-2H]-

506.19220

209.6

[M]+

485.21698

201.4

[M]-

485.21808

201.4

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

Schembl5407917

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe