CID 6857920

Cinnamic acid, alpha-(p-chlorophenoxy)-, 2-(dimethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C19H20ClNO3
SMILES
CN(C)CCOC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H20ClNO3/c1-21(2)12-13-23-19(22)18(14-15-6-4-3-5-7-15)24-17-10-8-16(20)9-11-17/h3-11,14H,12-13H2,1-2H3/b18-14-
InChIKey
GKGJERPTGXPOQR-JXAWBTAJSA-N
Compound name
2-(dimethylamino)ethyl (Z)-2-(4-chlorophenoxy)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.11316 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.120436 181.3
[M+Na]+ 368.102378 186.6
[M-H]- 344.105884 188.5
[M+NH4]+ 363.146983 195.2
[M+K]+ 384.076318 182.6
[M+H-H2O]+ 328.110420 173.1
[M+HCOO]- 390.111361 200.0
[M+CH3COO]- 404.127011 214.8
[M+Na-2H]- 366.087826 182.7
[M]+ 345.11261142 186.9
[M]- 345.11370858 186.9
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.