CID 90481557

N-(2-chloro-6-methylphenyl)-2-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C15H13ClN2O3
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C
InChI
InChI=1S/C15H13ClN2O3/c1-9-5-3-7-12(16)14(9)17-15(19)11-6-4-8-13(10(11)2)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKey
MDBBLXJSDGIGQV-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.06146 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06874 167.6
[M+Na]+ 327.05068 175.4
[M-H]- 303.05418 174.6
[M+NH4]+ 322.09528 182.5
[M+K]+ 343.02462 166.6
[M+H-H2O]+ 287.05872 165.5
[M+HCOO]- 349.05966 188.5
[M+CH3COO]- 363.07531 200.8
[M+Na-2H]- 325.03613 171.8
[M]+ 304.06091 169.1
[M]- 304.06201 169.1
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

No patent data available for this compound.