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 170.1
[M+Na]+ 338.07472 175.0
[M-H]- 314.07822 176.9
[M+NH4]+ 333.11932 181.9
[M+K]+ 354.04866 164.2
[M+H-H2O]+ 298.08276 170.6
[M+HCOO]- 360.08370 195.3
[M+CH3COO]- 374.09935 199.0
[M+Na-2H]- 336.06017 176.3
[M]+ 315.08495 167.4
[M]- 315.08605 167.4
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.