CID 3025506

Benzamide, 2-chloro-n-((6-nitro-1h-benzimidazol-1-yl)methyl)-

Structural Information

Molecular Formula
C15H11ClN4O3
SMILES
C1=CC=C(C(=C1)C(=O)NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H11ClN4O3/c16-12-4-2-1-3-11(12)15(21)18-9-19-8-17-13-6-5-10(20(22)23)7-14(13)19/h1-8H,9H2,(H,18,21)
InChIKey
LJRPLRUJQLHPHU-UHFFFAOYSA-N
Compound name
2-chloro-N-[(6-nitrobenzimidazol-1-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.05197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.05925 171.5
[M+Na]+ 353.04119 179.8
[M-H]- 329.04469 177.1
[M+NH4]+ 348.08579 184.8
[M+K]+ 369.01513 170.2
[M+H-H2O]+ 313.04923 167.3
[M+HCOO]- 375.05017 191.4
[M+CH3COO]- 389.06582 202.3
[M+Na-2H]- 351.02664 178.9
[M]+ 330.05142 174.0
[M]- 330.05252 174.0
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.