CID 45954

N-(2,6-dimethylphenyl)-2-hydroxy-3-nitrobenzamide

Structural Information

Molecular Formula
C15H14N2O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C15H14N2O4/c1-9-5-3-6-10(2)13(9)16-15(19)11-7-4-8-12(14(11)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)
InChIKey
NESNKKZSTMEYDD-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

286.09537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 163.5
[M+Na]+ 309.08459 177.1
[M+NH4]+ 304.12919 170.3
[M+K]+ 325.05853 173.9
[M-H]- 285.08809 168.5
[M+Na-2H]- 307.07004 170.5
[M]+ 286.09482 166.6
[M]- 286.09592 166.6
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

patents stripe