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]+ 350.21148 188.0
[M+Na]+ 372.19342 193.0
[M-H]- 348.19692 195.6
[M+NH4]+ 367.23802 203.0
[M+K]+ 388.16736 187.5
[M+H-H2O]+ 332.20146 178.5
[M+HCOO]- 394.20240 207.2
[M+CH3COO]- 408.21805 211.6
[M+Na-2H]- 370.17887 187.3
[M]+ 349.20365 187.6
[M]- 349.20475 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.