CID 6857999

Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride

Structural Information

Molecular Formula
C21H23NO2
SMILES
C1CCN(C1)/C(=C\C(=O)OCCC2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C21H23NO2/c23-21(24-16-13-18-9-3-1-4-10-18)17-20(22-14-7-8-15-22)19-11-5-2-6-12-19/h1-6,9-12,17H,7-8,13-16H2/b20-17-
InChIKey
KLVNXQLUPOISOT-JZJYNLBNSA-N
Compound name
2-phenylethyl (Z)-3-phenyl-3-pyrrolidin-1-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 179.8
[M+Na]+ 344.16210 182.3
[M-H]- 320.16560 186.6
[M+NH4]+ 339.20670 193.0
[M+K]+ 360.13604 177.5
[M+H-H2O]+ 304.17014 169.9
[M+HCOO]- 366.17108 198.5
[M+CH3COO]- 380.18673 204.8
[M+Na-2H]- 342.14755 179.3
[M]+ 321.17233 176.9
[M]- 321.17343 176.9
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.