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 165.4
[M+Na]+ 335.07507 172.5
[M-H]- 311.07857 170.2
[M+NH4]+ 330.11967 177.9
[M+K]+ 351.04901 164.2
[M+H-H2O]+ 295.08311 160.9
[M+HCOO]- 357.08405 188.7
[M+CH3COO]- 371.09970 198.3
[M+Na-2H]- 333.06052 173.6
[M]+ 312.08530 165.2
[M]- 312.08640 165.2
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.