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]+ 351.07424 177.7
[M+Na]+ 373.05618 185.4
[M-H]- 349.05968 184.9
[M+NH4]+ 368.10078 190.7
[M+K]+ 389.03012 177.9
[M+H-H2O]+ 333.06422 175.1
[M+HCOO]- 395.06516 198.5
[M+CH3COO]- 409.08081 209.3
[M+Na-2H]- 371.04163 181.2
[M]+ 350.06641 182.6
[M]- 350.06751 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.