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]+ 340.19072 182.4
[M+Na]+ 362.17266 184.7
[M-H]- 338.17616 187.7
[M+NH4]+ 357.21726 192.5
[M+K]+ 378.14660 180.3
[M+H-H2O]+ 322.18070 172.5
[M+HCOO]- 384.18164 196.6
[M+CH3COO]- 398.19729 207.2
[M+Na-2H]- 360.15811 184.8
[M]+ 339.18289 178.2
[M]- 339.18399 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.