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

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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 170.8
[M+Na]+ 344.02157 186.3
[M+NH4]+ 339.06617 179.1
[M+K]+ 359.99551 177.0
[M-H]- 320.02507 175.3
[M+Na-2H]- 342.00702 179.4
[M]+ 321.03180 174.9
[M]- 321.03290 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.