CID 45051318

3-(2-chloro-3-methoxyphenyl)-n-(2-ethyl-6-methylphenyl)-2-propenamide

Structural Information

Molecular Formula
C19H20ClNO2
SMILES
CCC1=CC=CC(=C1NC(=O)/C=C/C2=C(C(=CC=C2)OC)Cl)C
InChI
InChI=1S/C19H20ClNO2/c1-4-14-8-5-7-13(2)19(14)21-17(22)12-11-15-9-6-10-16(23-3)18(15)20/h5-12H,4H2,1-3H3,(H,21,22)/b12-11+
InChIKey
ZSPYPTZCNGHDSK-VAWYXSNFSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11826 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.125536 177.9
[M+Na]+ 352.107478 186.4
[M-H]- 328.110984 184.8
[M+NH4]+ 347.152083 193.0
[M+K]+ 368.081418 180.0
[M+H-H2O]+ 312.115520 170.7
[M+HCOO]- 374.116461 196.9
[M+CH3COO]- 388.132111 212.2
[M+Na-2H]- 350.092926 179.0
[M]+ 329.11771142 182.6
[M]- 329.11880858 182.6
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.