CID 58869

101756-46-1

Structural Information

Molecular Formula
C22H27NO3
SMILES
CN1CCCC(C1)COC(=O)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H27NO3/c1-23-14-8-11-19(16-23)17-26-21(24)22(25,20-12-6-3-7-13-20)15-18-9-4-2-5-10-18/h2-7,9-10,12-13,19,25H,8,11,14-17H2,1H3
InChIKey
UNLYBCILVRUEAE-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-yl)methyl 2-hydroxy-2,3-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.206376 186.8
[M+Na]+ 376.188318 188.6
[M-H]- 352.191824 191.9
[M+NH4]+ 371.232923 196.3
[M+K]+ 392.162258 184.1
[M+H-H2O]+ 336.196360 176.7
[M+HCOO]- 398.197301 200.7
[M+CH3COO]- 412.212951 210.1
[M+Na-2H]- 374.173766 188.7
[M]+ 353.19855142 182.9
[M]- 353.19964858 182.9
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.