CID 3050478

Acetamide, n-(((2-(6-nitro-1h-benzimidazol-1-yl)ethyl)amino)carbonyl)-

Structural Information

Molecular Formula
C12H13N5O4
SMILES
CC(=O)NC(=O)NCCN1C=NC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H13N5O4/c1-8(18)15-12(19)13-4-5-16-7-14-10-3-2-9(17(20)21)6-11(10)16/h2-3,6-7H,4-5H2,1H3,(H2,13,15,18,19)
InChIKey
RODKAHWZOPPLAP-UHFFFAOYSA-N
Compound name
N-[2-(6-nitrobenzimidazol-1-yl)ethylcarbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09674 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.104016 159.9
[M+Na]+ 314.085958 166.3
[M-H]- 290.089464 162.7
[M+NH4]+ 309.130563 174.0
[M+K]+ 330.059898 160.0
[M+H-H2O]+ 274.094000 156.1
[M+HCOO]- 336.094941 184.8
[M+CH3COO]- 350.110591 198.0
[M+Na-2H]- 312.071406 168.0
[M]+ 291.09619142 160.4
[M]- 291.09728858 160.4
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.