PubChemLite - Schembl5115591 (C24H32N6O)

Structural Information

Molecular Formula

SMILES

CC(C)N1CCN(CC1)C2=CC=CC3=NC(=CN32)CN(C)[C@H]4CCOC5=C4N=CC=C5

InChI

InChI=1S/C24H32N6O/c1-18(2)28-11-13-29(14-12-28)23-8-4-7-22-26-19(17-30(22)23)16-27(3)20-9-15-31-21-6-5-10-25-24(20)21/h4-8,10,17-18,20H,9,11-16H2,1-3H3/t20-/m0/s1

InChIKey

XUEREQDGYCSBNA-FQEVSTJZSA-N

Compound name

(4S)-N-methyl-N-[[5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-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]+	421.27104	205.4
[M+Na]+	443.25298	209.8
[M-H]-	419.25648	210.7
[M+NH4]+	438.29758	210.4
[M+K]+	459.22692	204.4
[M+H-H2O]+	403.26102	191.3
[M+HCOO]-	465.26196	214.7
[M+CH3COO]-	479.27761	211.4
[M+Na-2H]-	441.23843	204.9
[M]+	420.26321	203.4
[M]-	420.26431	203.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

421.27104

205.4

[M+Na]+

443.25298

209.8

[M-H]-

419.25648

210.7

[M+NH4]+

438.29758

210.4

[M+K]+

459.22692

204.4

[M+H-H2O]+

403.26102

191.3

[M+HCOO]-

465.26196

214.7

[M+CH3COO]-

479.27761

211.4

[M+Na-2H]-

441.23843

204.9

[M]+

420.26321

203.4

[M]-

420.26431

203.4

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

Schembl5115591

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe