CID 45051330

3-(2-chloro-3-methoxyphenyl)-n-(3-chloro-4-methylphenyl)-2-propenamide

Structural Information

Molecular Formula
C17H15Cl2NO2
SMILES
CC1=C(C=C(C=C1)NC(=O)/C=C/C2=C(C(=CC=C2)OC)Cl)Cl
InChI
InChI=1S/C17H15Cl2NO2/c1-11-6-8-13(10-14(11)18)20-16(21)9-7-12-4-3-5-15(22-2)17(12)19/h3-10H,1-2H3,(H,20,21)/b9-7+
InChIKey
QDTGFJYXVSVAMR-VQHVLOKHSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.04797 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05525 174.7
[M+Na]+ 358.03719 184.4
[M-H]- 334.04069 181.1
[M+NH4]+ 353.08179 190.1
[M+K]+ 374.01113 177.3
[M+H-H2O]+ 318.04523 168.7
[M+HCOO]- 380.04617 189.3
[M+CH3COO]- 394.06182 210.5
[M+Na-2H]- 356.02264 176.2
[M]+ 335.04742 180.0
[M]- 335.04852 180.0
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.