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 173.1
[M+Na]+ 387.97102 184.6
[M-H]- 363.97452 182.1
[M+NH4]+ 383.01562 190.2
[M+K]+ 403.94496 170.3
[M+H-H2O]+ 347.97906 172.0
[M+HCOO]- 409.98000 190.5
[M+CH3COO]- 423.99565 210.5
[M+Na-2H]- 385.95647 177.5
[M]+ 364.98125 194.5
[M]- 364.98235 194.5
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.