CID 5142777

2-methyl-n-(4-methyl-3-nitrophenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C15H13N3O5
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O5/c1-9-6-7-11(8-14(9)18(22)23)16-15(19)12-4-3-5-13(10(12)2)17(20)21/h3-8H,1-2H3,(H,16,19)
InChIKey
LYKGXKFXKXWPPG-UHFFFAOYSA-N
Compound name
2-methyl-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0855 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09278 172.8
[M+Na]+ 338.07472 186.5
[M+NH4]+ 333.11932 179.1
[M+K]+ 354.04866 189.7
[M-H]- 314.07822 179.0
[M+Na-2H]- 336.06017 179.1
[M]+ 315.08495 176.2
[M]- 315.08605 176.2
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.