CID 16961674

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

Structural Information

Molecular Formula
C15H13ClN2O5
SMILES
COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2[N+](=O)[O-])Cl)OC
InChI
InChI=1S/C15H13ClN2O5/c1-22-13-8-14(23-2)11(7-10(13)16)17-15(19)9-5-3-4-6-12(9)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKey
IOFAUNLXEQUSEB-UHFFFAOYSA-N
Compound name
N-(5-chloro-2,4-dimethoxyphenyl)-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0513 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05858 171.8
[M+Na]+ 359.04052 186.2
[M+NH4]+ 354.08512 178.6
[M+K]+ 375.01446 182.4
[M-H]- 335.04402 176.8
[M+Na-2H]- 357.02597 179.0
[M]+ 336.05075 175.4
[M]- 336.05185 175.4
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.