CID 3042273

Urea, 1-acetyl-3-(2-(1-benzimidazolyl)ethyl)-

Structural Information

Molecular Formula
C12H14N4O2
SMILES
CC(=O)NC(=O)NCCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C12H14N4O2/c1-9(17)15-12(18)13-6-7-16-8-14-10-4-2-3-5-11(10)16/h2-5,8H,6-7H2,1H3,(H2,13,15,17,18)
InChIKey
BJIGOAIYWLTQCK-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethylcarbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11168 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 154.0
[M+Na]+ 269.10090 161.6
[M-H]- 245.10440 156.4
[M+NH4]+ 264.14550 171.0
[M+K]+ 285.07484 158.9
[M+H-H2O]+ 229.10894 145.8
[M+HCOO]- 291.10988 178.0
[M+CH3COO]- 305.12553 196.0
[M+Na-2H]- 267.08635 160.3
[M]+ 246.11113 155.9
[M]- 246.11223 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.