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]+ 292.10402 159.9
[M+Na]+ 314.08596 166.3
[M-H]- 290.08946 162.7
[M+NH4]+ 309.13056 174.0
[M+K]+ 330.05990 160.0
[M+H-H2O]+ 274.09400 156.1
[M+HCOO]- 336.09494 184.8
[M+CH3COO]- 350.11059 198.0
[M+Na-2H]- 312.07141 168.0
[M]+ 291.09619 160.4
[M]- 291.09729 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.