CID 487736

2-hydroxy-n-(4-methylphenyl)-5-nitrobenzamide

Structural Information

Molecular Formula
C14H12N2O4
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H12N2O4/c1-9-2-4-10(5-3-9)15-14(18)12-8-11(16(19)20)6-7-13(12)17/h2-8,17H,1H3,(H,15,18)
InChIKey
BTHWTFZOABTOKZ-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(4-methylphenyl)-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

272.0797 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.086976 157.8
[M+Na]+ 295.068918 164.0
[M-H]- 271.072424 163.7
[M+NH4]+ 290.113523 172.1
[M+K]+ 311.042858 156.7
[M+H-H2O]+ 255.076960 154.8
[M+HCOO]- 317.077901 182.3
[M+CH3COO]- 331.093551 192.4
[M+Na-2H]- 293.054366 163.7
[M]+ 272.07915142 155.7
[M]- 272.08024858 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe