CID 58868

101756-45-0

Structural Information

Molecular Formula
C21H25NO3
SMILES
CN1CCC(CC1)OC(=O)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H25NO3/c1-22-14-12-19(13-15-22)25-20(23)21(24,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19,24H,12-16H2,1H3
InChIKey
RYNQCUAINKSSAO-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-hydroxy-2,3-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.190716 182.4
[M+Na]+ 362.172658 184.7
[M-H]- 338.176164 187.7
[M+NH4]+ 357.217263 192.5
[M+K]+ 378.146598 180.3
[M+H-H2O]+ 322.180700 172.5
[M+HCOO]- 384.181641 196.6
[M+CH3COO]- 398.197291 207.2
[M+Na-2H]- 360.158106 184.8
[M]+ 339.18289142 178.2
[M]- 339.18398858 178.2
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.