CID 3048628

4-piperidinol, 1-methyl-4-phenyl-, diphenylacetate, hydrochloride

Structural Information

Molecular Formula
C26H27NO2
SMILES
CN1CCC(CC1)(C2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H27NO2/c1-27-19-17-26(18-20-27,23-15-9-4-10-16-23)29-25(28)24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,24H,17-20H2,1H3
InChIKey
YKWTVOSBNUUJQI-UHFFFAOYSA-N
Compound name
(1-methyl-4-phenylpiperidin-4-yl) 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2042 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21148 197.5
[M+Na]+ 408.19342 199.6
[M-H]- 384.19692 206.7
[M+NH4]+ 403.23802 207.5
[M+K]+ 424.16736 194.2
[M+H-H2O]+ 368.20146 185.1
[M+HCOO]- 430.20240 212.9
[M+CH3COO]- 444.21805 204.9
[M+Na-2H]- 406.17887 198.5
[M]+ 385.20365 192.5
[M]- 385.20475 192.5
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.