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: 2
Patents: 337.2042 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	338.211476	184.3
[M+Na]+	360.193418	189.3
[M-H]-	336.196924	192.0
[M+NH4]+	355.238023	199.7
[M+K]+	376.167358	184.6
[M+H-H2O]+	320.201460	174.9
[M+HCOO]-	382.202401	203.6
[M+CH3COO]-	396.218051	210.1
[M+Na-2H]-	358.178866	184.1
[M]+	337.20365142	184.4
[M]-	337.20474858	184.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe