PubChemLite - Wo-00195910 (C23H23N7O3)

Structural Information

Molecular Formula

SMILES

C1CC1N2C3=C(C=NC=C3)N(C2=O)CC4=NC5=CC=CC=C5N4CCCN6CC(=O)NC6=O

InChI

InChI=1S/C23H23N7O3/c31-21-14-27(22(32)26-21)10-3-11-28-17-5-2-1-4-16(17)25-20(28)13-29-19-12-24-9-8-18(19)30(23(29)33)15-6-7-15/h1-2,4-5,8-9,12,15H,3,6-7,10-11,13-14H2,(H,26,31,32)

InChIKey

JFHSBOIJPHWCAK-UHFFFAOYSA-N

Compound name

1-[3-[2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]propyl]imidazolidine-2,4-dione

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]+	446.19353	220.7
[M+Na]+	468.17547	233.6
[M-H]-	444.17897	227.4
[M+NH4]+	463.22007	222.7
[M+K]+	484.14941	222.2
[M+H-H2O]+	428.18351	211.0
[M+HCOO]-	490.18445	234.8
[M+CH3COO]-	504.20010	227.4
[M+Na-2H]-	466.16092	214.5
[M]+	445.18570	226.6
[M]-	445.18680	226.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

446.19353

220.7

[M+Na]+

468.17547

233.6

[M-H]-

444.17897

227.4

[M+NH4]+

463.22007

222.7

[M+K]+

484.14941

222.2

[M+H-H2O]+

428.18351

211.0

[M+HCOO]-

490.18445

234.8

[M+CH3COO]-

504.20010

227.4

[M+Na-2H]-

466.16092

214.5

[M]+

445.18570

226.6

[M]-

445.18680

226.6

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

Wo-00195910

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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