CID 297022

101997-37-9

Structural Information

Molecular Formula
C21H25NO3
SMILES
COC(=O)C(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)O
InChI
InChI=1S/C21H25NO3/c1-25-20(23)19(18-10-6-3-7-11-18)21(24)12-14-22(15-13-21)16-17-8-4-2-5-9-17/h2-11,19,24H,12-16H2,1H3
InChIKey
UHQATSRWAFZSAY-UHFFFAOYSA-N
Compound name
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2-phenylacetate
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 183.6
[M+Na]+ 362.17266 186.3
[M-H]- 338.17616 189.1
[M+NH4]+ 357.21726 195.7
[M+K]+ 378.14660 182.3
[M+H-H2O]+ 322.18070 173.7
[M+HCOO]- 384.18164 198.5
[M+CH3COO]- 398.19729 207.1
[M+Na-2H]- 360.15811 184.9
[M]+ 339.18289 179.6
[M]- 339.18399 179.6
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.