CID 209524

3-piperidinol, 2-(diphenylmethyl)-, acetate (ester), hydrochloride

Structural Information

Molecular Formula
C20H23NO2
SMILES
CC(=O)OC1CCCNC1C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO2/c1-15(22)23-18-13-8-14-21-20(18)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-21H,8,13-14H2,1H3
InChIKey
BSPGKOYLLQRMCH-UHFFFAOYSA-N
Compound name
(2-benzhydrylpiperidin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 175.1
[M+Na]+ 332.16210 177.2
[M-H]- 308.16560 180.4
[M+NH4]+ 327.20670 186.3
[M+K]+ 348.13604 172.4
[M+H-H2O]+ 292.17014 165.2
[M+HCOO]- 354.17108 190.1
[M+CH3COO]- 368.18673 202.6
[M+Na-2H]- 330.14755 175.8
[M]+ 309.17233 169.0
[M]- 309.17343 169.0
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