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]+ 297.09822 162.8
[M+Na]+ 319.08016 169.8
[M-H]- 295.08366 168.6
[M+NH4]+ 314.12476 176.5
[M+K]+ 335.05410 161.6
[M+H-H2O]+ 279.08820 158.0
[M+HCOO]- 341.08914 187.5
[M+CH3COO]- 355.10479 197.5
[M+Na-2H]- 317.06561 171.8
[M]+ 296.09039 162.7
[M]- 296.09149 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.