CID 58871

101756-47-2

Structural Information

Molecular Formula
C22H27NO3
SMILES
C1CCN(CC1)CCOC(=O)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H27NO3/c24-21(26-17-16-23-14-8-3-9-15-23)22(25,20-12-6-2-7-13-20)18-19-10-4-1-5-11-19/h1-2,4-7,10-13,25H,3,8-9,14-18H2
InChIKey
VXHSWWNWVNBKHH-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-hydroxy-2,3-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.206376 186.6
[M+Na]+ 376.188318 187.4
[M-H]- 352.191824 191.3
[M+NH4]+ 371.232923 195.8
[M+K]+ 392.162258 182.8
[M+H-H2O]+ 336.196360 176.3
[M+HCOO]- 398.197301 200.5
[M+CH3COO]- 412.212951 208.9
[M+Na-2H]- 374.173766 189.1
[M]+ 353.19855142 182.2
[M]- 353.19964858 182.2
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.