PubChemLite - 147403-65-4 (C25H24N4O4)

Structural Information

Molecular Formula

SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4/C(=N\O)/N)C(=O)OC

InChI

InChI=1S/C25H24N4O4/c1-3-33-25-27-21-10-6-9-20(24(30)32-2)22(21)29(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23(26)28-31/h4-14,31H,3,15H2,1-2H3,(H2,26,28)

InChIKey

OQJREYQHKLULTR-UHFFFAOYSA-N

Compound name

methyl 2-ethoxy-3-[[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate

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]+	445.18703	207.3
[M+Na]+	467.16897	214.1
[M-H]-	443.17247	215.8
[M+NH4]+	462.21357	215.2
[M+K]+	483.14291	209.0
[M+H-H2O]+	427.17701	195.9
[M+HCOO]-	489.17795	228.7
[M+CH3COO]-	503.19360	236.2
[M+Na-2H]-	465.15442	208.0
[M]+	444.17920	211.8
[M]-	444.18030	211.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.18703

207.3

[M+Na]+

467.16897

214.1

[M-H]-

443.17247

215.8

[M+NH4]+

462.21357

215.2

[M+K]+

483.14291

209.0

[M+H-H2O]+

427.17701

195.9

[M+HCOO]-

489.17795

228.7

[M+CH3COO]-

503.19360

236.2

[M+Na-2H]-

465.15442

208.0

[M]+

444.17920

211.8

[M]-

444.18030

211.8

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

147403-65-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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