CID 210192

N-(2-(1-benzimidazolyl)ethyl)acetamide oxalate

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CC(=O)NCCN1C=NC2=CC=CC=C21

InChI

InChI=1S/C11H13N3O/c1-9(15)12-6-7-14-8-13-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3,(H,12,15)

InChIKey

GVWLXPDDBZUMPZ-UHFFFAOYSA-N

Compound name

N-[2-(benzimidazol-1-yl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 203.10587 Da
Monoisotopic Mass: 0.7
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]+	204.113146	143.4
[M+Na]+	226.095088	152.5
[M-H]-	202.098594	145.8
[M+NH4]+	221.139693	162.6
[M+K]+	242.069028	149.4
[M+H-H2O]+	186.103130	135.7
[M+HCOO]-	248.104071	167.3
[M+CH3COO]-	262.119721	187.1
[M+Na-2H]-	224.080536	150.7
[M]+	203.10532142	145.8
[M]-	203.10641858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe