CID 3025509

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

Structural Information

Molecular Formula
C15H12N4O4
SMILES
C1=CC=C(C(=C1)C(=O)NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C15H12N4O4/c20-14-4-2-1-3-11(14)15(21)17-9-18-8-16-12-6-5-10(19(22)23)7-13(12)18/h1-8,20H,9H2,(H,17,21)
InChIKey
NEFOUVSYDNGVDN-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[(6-nitrobenzimidazol-1-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.08585 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09313 166.2
[M+Na]+ 335.07507 179.6
[M+NH4]+ 330.11967 172.3
[M+K]+ 351.04901 178.6
[M-H]- 311.07857 169.9
[M+Na-2H]- 333.06052 173.1
[M]+ 312.08530 168.8
[M]- 312.08640 168.8
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.