CID 3025504

103706-79-2

Structural Information

Molecular Formula
C15H12N4O3
SMILES
C1=CC=C(C=C1)C(=O)NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H12N4O3/c20-15(11-4-2-1-3-5-11)17-10-18-9-16-13-7-6-12(19(21)22)8-14(13)18/h1-9H,10H2,(H,17,20)
InChIKey
GGNSDCJNCSNCFA-UHFFFAOYSA-N
Compound name
N-[(6-nitrobenzimidazol-1-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09094 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.098216 162.8
[M+Na]+ 319.080158 169.8
[M-H]- 295.083664 168.6
[M+NH4]+ 314.124763 176.5
[M+K]+ 335.054098 161.6
[M+H-H2O]+ 279.088200 158.0
[M+HCOO]- 341.089141 187.5
[M+CH3COO]- 355.104791 197.5
[M+Na-2H]- 317.065606 171.8
[M]+ 296.09039142 162.7
[M]- 296.09148858 162.7
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.