PubChemLite - Schembl5119732 (C23H30N6O2)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCOC5=C4N=CC=C5

InChI

InChI=1S/C23H30N6O2/c1-26-10-12-28(13-11-26)22-7-3-6-21-25-17(19(16-30)29(21)22)15-27(2)18-8-14-31-20-5-4-9-24-23(18)20/h3-7,9,18,30H,8,10-16H2,1-2H3

InChIKey

HAFSZCFHDLELAN-UHFFFAOYSA-N

Compound name

[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol

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]+	423.25028	205.0
[M+Na]+	445.23222	210.3
[M-H]-	421.23572	209.6
[M+NH4]+	440.27682	209.5
[M+K]+	461.20616	204.7
[M+H-H2O]+	405.24026	191.3
[M+HCOO]-	467.24120	214.2
[M+CH3COO]-	481.25685	211.0
[M+Na-2H]-	443.21767	205.1
[M]+	422.24245	203.3
[M]-	422.24355	203.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.25028

205.0

[M+Na]+

445.23222

210.3

[M-H]-

421.23572

209.6

[M+NH4]+

440.27682

209.5

[M+K]+

461.20616

204.7

[M+H-H2O]+

405.24026

191.3

[M+HCOO]-

467.24120

214.2

[M+CH3COO]-

481.25685

211.0

[M+Na-2H]-

443.21767

205.1

[M]+

422.24245

203.3

[M]-

422.24355

203.3

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

Schembl5119732

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe