CID 45051304

3-(2-chloro-3-methoxyphenyl)-n-(3-chlorophenyl)-2-propenamide

Structural Information

Molecular Formula
C16H13Cl2NO2
SMILES
COC1=CC=CC(=C1Cl)/C=C/C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H13Cl2NO2/c1-21-14-7-2-4-11(16(14)18)8-9-15(20)19-13-6-3-5-12(17)10-13/h2-10H,1H3,(H,19,20)/b9-8+
InChIKey
PBOHAJFLAPHGIN-CMDGGOBGSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.03235 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.03963 170.4
[M+Na]+ 344.02157 179.7
[M-H]- 320.02507 176.6
[M+NH4]+ 339.06617 186.0
[M+K]+ 359.99551 172.6
[M+H-H2O]+ 304.02961 164.3
[M+HCOO]- 366.03055 185.4
[M+CH3COO]- 380.04620 206.3
[M+Na-2H]- 342.00702 173.1
[M]+ 321.03180 175.0
[M]- 321.03290 175.0
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.