CID 209528

19974-84-6

Structural Information

Molecular Formula

C₂₂H₂₇NO₂

SMILES

CCC(=O)OC1CCCN(C1C(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27NO2/c1-3-20(24)25-19-15-10-16-23(2)22(19)21(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,21-22H,3,10,15-16H2,1-2H3

InChIKey

WZRIWECGCDPXQR-UHFFFAOYSA-N

Compound name

(2-benzhydryl-1-methylpiperidin-3-yl) propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 337.2042 Da
Monoisotopic Mass: 4.7
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	183.9
[M+Na]+	360.193418	186.6
[M-H]-	336.196924	190.6
[M+NH4]+	355.238023	195.1
[M+K]+	376.167358	182.2
[M+H-H2O]+	320.201460	173.4
[M+HCOO]-	382.202401	199.7
[M+CH3COO]-	396.218051	212.1
[M+Na-2H]-	358.178866	183.3
[M]+	337.20365142	180.7
[M]-	337.20474858	180.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe