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

8
Patents

286.09537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 162.5
[M+Na]+ 309.084588 169.1
[M-H]- 285.088094 168.6
[M+NH4]+ 304.129193 176.4
[M+K]+ 325.058528 161.7
[M+H-H2O]+ 269.092630 159.4
[M+HCOO]- 331.093571 186.5
[M+CH3COO]- 345.109221 196.6
[M+Na-2H]- 307.070036 167.2
[M]+ 286.09482142 161.1
[M]- 286.09591858 161.1
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