CID 3053132

69552-18-7

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCC(=O)OC1(CCN(C1C)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO2/c1-3-21(24)25-22(20-12-8-5-9-13-20)15-17-23(18(22)2)16-14-19-10-6-4-7-11-19/h4-13,18H,3,14-17H2,1-2H3
InChIKey
AXWOILDRFGJMLL-UHFFFAOYSA-N
Compound name
[2-methyl-3-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 184.3
[M+Na]+ 360.19342 189.3
[M-H]- 336.19692 192.0
[M+NH4]+ 355.23802 199.7
[M+K]+ 376.16736 184.6
[M+H-H2O]+ 320.20146 174.9
[M+HCOO]- 382.20240 203.6
[M+CH3COO]- 396.21805 210.1
[M+Na-2H]- 358.17887 184.1
[M]+ 337.20365 184.4
[M]- 337.20475 184.4
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

patents stripe