CID 17413179

N-(5-chloro-2,4-dimethoxyphenyl)-2-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C16H15ClN2O5
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2OC)OC)Cl
InChI
InChI=1S/C16H15ClN2O5/c1-9-10(5-4-6-13(9)19(21)22)16(20)18-12-7-11(17)14(23-2)8-15(12)24-3/h4-8H,1-3H3,(H,18,20)
InChIKey
JMSWKTCZVSJJJN-UHFFFAOYSA-N
Compound name
N-(5-chloro-2,4-dimethoxyphenyl)-2-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.06696 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.074236 177.7
[M+Na]+ 373.056178 185.4
[M-H]- 349.059684 184.9
[M+NH4]+ 368.100783 190.7
[M+K]+ 389.030118 177.9
[M+H-H2O]+ 333.064220 175.1
[M+HCOO]- 395.065161 198.5
[M+CH3COO]- 409.080811 209.3
[M+Na-2H]- 371.041626 181.2
[M]+ 350.06641142 182.6
[M]- 350.06750858 182.6
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.