CID 6857920

Rm 29

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]+ 346.12044 181.3
[M+Na]+ 368.10238 186.6
[M-H]- 344.10588 188.5
[M+NH4]+ 363.14698 195.2
[M+K]+ 384.07632 182.6
[M+H-H2O]+ 328.11042 173.1
[M+HCOO]- 390.11136 200.0
[M+CH3COO]- 404.12701 214.8
[M+Na-2H]- 366.08783 182.7
[M]+ 345.11261 186.9
[M]- 345.11371 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.