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 169.0
[M+Na]+ 353.04119 184.3
[M+NH4]+ 348.08579 176.3
[M+K]+ 369.01513 181.4
[M-H]- 329.04469 173.7
[M+Na-2H]- 351.02664 176.9
[M]+ 330.05142 172.6
[M]- 330.05252 172.6
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.