CID 45952

2-hydroxy-n-(2-methyl-5-nitrophenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C14H11N3O6
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H11N3O6/c1-8-5-6-9(16(20)21)7-11(8)15-14(19)10-3-2-4-12(13(10)18)17(22)23/h2-7,18H,1H3,(H,15,19)
InChIKey
QLVVQRCTAOWEFK-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0648 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07208 167.3
[M+Na]+ 340.05402 171.8
[M-H]- 316.05752 172.9
[M+NH4]+ 335.09862 178.1
[M+K]+ 356.02796 161.0
[M+H-H2O]+ 300.06206 167.9
[M+HCOO]- 362.06300 191.5
[M+CH3COO]- 376.07865 195.5
[M+Na-2H]- 338.03947 174.0
[M]+ 317.06425 163.7
[M]- 317.06535 163.7
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.