CID 6447499

76691-25-3

Structural Information

Molecular Formula
C19H20ClNO2
SMILES
C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)NCCC2=CC=C(C=C2)OC
InChI
InChI=1S/C19H20ClNO2/c1-14(13-16-3-7-17(20)8-4-16)19(22)21-12-11-15-5-9-18(23-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,21,22)/b14-13+
InChIKey
FMTTZUUADYFDKN-BUHFOSPRSA-N
Compound name
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11826 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.125536 178.4
[M+Na]+ 352.107478 184.7
[M-H]- 328.110984 184.5
[M+NH4]+ 347.152083 192.8
[M+K]+ 368.081418 178.7
[M+H-H2O]+ 312.115520 170.9
[M+HCOO]- 374.116461 196.4
[M+CH3COO]- 388.132111 210.6
[M+Na-2H]- 350.092926 179.7
[M]+ 329.11771142 181.7
[M]- 329.11880858 181.7
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.