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]+ 322.180156 179.8
[M+Na]+ 344.162098 182.3
[M-H]- 320.165604 186.6
[M+NH4]+ 339.206703 193.0
[M+K]+ 360.136038 177.5
[M+H-H2O]+ 304.170140 169.9
[M+HCOO]- 366.171081 198.5
[M+CH3COO]- 380.186731 204.8
[M+Na-2H]- 342.147546 179.3
[M]+ 321.17233142 176.9
[M]- 321.17342858 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.