CID 13486877

Benzeneacetamide, n-((6-nitro-1h-benzimidazol-1-yl)methyl)-

Structural Information

Molecular Formula
C16H14N4O3
SMILES
C1=CC=C(C=C1)CC(=O)NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O3/c21-16(8-12-4-2-1-3-5-12)18-11-19-10-17-14-7-6-13(20(22)23)9-15(14)19/h1-7,9-10H,8,11H2,(H,18,21)
InChIKey
IYEHFUADFNRALK-UHFFFAOYSA-N
Compound name
N-[(6-nitrobenzimidazol-1-yl)methyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1066 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11388 167.6
[M+Na]+ 333.09582 174.1
[M-H]- 309.09932 173.1
[M+NH4]+ 328.14042 180.6
[M+K]+ 349.06976 165.6
[M+H-H2O]+ 293.10386 162.5
[M+HCOO]- 355.10480 191.9
[M+CH3COO]- 369.12045 200.5
[M+Na-2H]- 331.08127 176.0
[M]+ 310.10605 167.8
[M]- 310.10715 167.8
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.