PubChemLite - Schembl5124050 (C23H30N6O)

Structural Information

Molecular Formula

SMILES

CN1CCC(C1)N(C)C2=CC=CC3=NC(=CN32)CN(C)C4CCOC5=C4N=CC=C5

InChI

InChI=1S/C23H30N6O/c1-26-12-9-18(16-26)28(3)22-8-4-7-21-25-17(15-29(21)22)14-27(2)19-10-13-30-20-6-5-11-24-23(19)20/h4-8,11,15,18-19H,9-10,12-14,16H2,1-3H3

InChIKey

MWYXKGVHVLZQKR-UHFFFAOYSA-N

Compound name

N-methyl-N-[[5-[methyl-(1-methylpyrrolidin-3-yl)amino]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]+	407.25538	197.8
[M+Na]+	429.23732	202.9
[M-H]-	405.24082	207.0
[M+NH4]+	424.28192	207.3
[M+K]+	445.21126	199.5
[M+H-H2O]+	389.24536	185.6
[M+HCOO]-	451.24630	213.9
[M+CH3COO]-	465.26195	206.2
[M+Na-2H]-	427.22277	197.2
[M]+	406.24755	198.8
[M]-	406.24865	198.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

407.25538

197.8

[M+Na]+

429.23732

202.9

[M-H]-

405.24082

207.0

[M+NH4]+

424.28192

207.3

[M+K]+

445.21126

199.5

[M+H-H2O]+

389.24536

185.6

[M+HCOO]-

451.24630

213.9

[M+CH3COO]-

465.26195

206.2

[M+Na-2H]-

427.22277

197.2

[M]+

406.24755

198.8

[M]-

406.24865

198.8

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

Schembl5124050

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe