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]+ 330.12554 177.9
[M+Na]+ 352.10748 186.4
[M-H]- 328.11098 184.8
[M+NH4]+ 347.15208 193.0
[M+K]+ 368.08142 180.0
[M+H-H2O]+ 312.11552 170.7
[M+HCOO]- 374.11646 196.9
[M+CH3COO]- 388.13211 212.2
[M+Na-2H]- 350.09293 179.0
[M]+ 329.11771 182.6
[M]- 329.11881 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.