CID 6446984

69552-03-0

Structural Information

Molecular Formula
C23H27NO2
SMILES
CCC(=O)OC1(CCN(C1C)C/C=C/C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO2/c1-3-22(25)26-23(21-14-8-5-9-15-21)16-18-24(19(23)2)17-10-13-20-11-6-4-7-12-20/h4-15,19H,3,16-18H2,1-2H3/b13-10+
InChIKey
ZPJXRHIWYVEEJC-JLHYYAGUSA-N
Compound name
[2-methyl-3-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.211476 188.0
[M+Na]+ 372.193418 193.0
[M-H]- 348.196924 195.6
[M+NH4]+ 367.238023 203.0
[M+K]+ 388.167358 187.5
[M+H-H2O]+ 332.201460 178.5
[M+HCOO]- 394.202401 207.2
[M+CH3COO]- 408.218051 211.6
[M+Na-2H]- 370.178866 187.3
[M]+ 349.20365142 187.6
[M]- 349.20474858 187.6
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.