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 173.1
[M+Na]+ 359.04052 180.4
[M-H]- 335.04402 180.2
[M+NH4]+ 354.08512 186.4
[M+K]+ 375.01446 172.9
[M+H-H2O]+ 319.04856 170.5
[M+HCOO]- 381.04950 194.3
[M+CH3COO]- 395.06515 205.0
[M+Na-2H]- 357.02597 177.8
[M]+ 336.05075 177.2
[M]- 336.05185 177.2
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.