CID 45051317

3-(2-chloro-3-methoxyphenyl)-n-(2,4-dichlorophenyl)-2-propenamide

Structural Information

Molecular Formula
C16H12Cl3NO2
SMILES
COC1=CC=CC(=C1Cl)/C=C/C(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H12Cl3NO2/c1-22-14-4-2-3-10(16(14)19)5-8-15(21)20-13-7-6-11(17)9-12(13)18/h2-9H,1H3,(H,20,21)/b8-5+
InChIKey
QGZVNHCLEBIBPP-VMPITWQZSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.99335 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.00063 175.9
[M+Na]+ 377.98257 185.9
[M-H]- 353.98607 181.1
[M+NH4]+ 373.02717 190.5
[M+K]+ 393.95651 178.3
[M+H-H2O]+ 337.99061 170.7
[M+HCOO]- 399.99155 185.3
[M+CH3COO]- 414.00720 212.2
[M+Na-2H]- 375.96802 176.9
[M]+ 354.99280 181.1
[M]- 354.99390 181.1
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.