CID 45051335

N-(3-bromophenyl)-3-(2-chloro-3-methoxyphenyl)-2-propenamide

Structural Information

Molecular Formula
C16H13BrClNO2
SMILES
COC1=CC=CC(=C1Cl)/C=C/C(=O)NC2=CC(=CC=C2)Br
InChI
InChI=1S/C16H13BrClNO2/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
TVMRVOIKHLZJFG-CMDGGOBGSA-N
Compound name
(E)-N-(3-bromophenyl)-3-(2-chloro-3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.9818 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.98908 172.3
[M+Na]+ 387.97102 177.5
[M+NH4]+ 383.01562 176.8
[M+K]+ 403.94496 175.2
[M-H]- 363.97452 175.1
[M+Na-2H]- 385.95647 177.2
[M]+ 364.98125 172.9
[M]- 364.98235 172.9
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.