CID 82783907

1955548-28-3

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₃

SMILES

CN(C)CCN1C2=C(C=CC(=C2)C(=O)O)NC1=O

InChI

InChI=1S/C12H15N3O3/c1-14(2)5-6-15-10-7-8(11(16)17)3-4-9(10)13-12(15)18/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,16,17)

InChIKey

BIZMXNOTUIAPLZ-UHFFFAOYSA-N

Compound name

3-[2-(dimethylamino)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.11134 Da
Monoisotopic Mass: -2.0
XlogP (predicted)

Profile

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]+	250.118616	153.7
[M+Na]+	272.100558	163.3
[M-H]-	248.104064	155.4
[M+NH4]+	267.145163	170.5
[M+K]+	288.074498	160.2
[M+H-H2O]+	232.108600	146.6
[M+HCOO]-	294.109541	175.3
[M+CH3COO]-	308.125191	195.2
[M+Na-2H]-	270.086006	157.5
[M]+	249.11079142	157.0
[M]-	249.11188858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.