CID 48250

66902-45-2

Structural Information

Molecular Formula
C22H27NO2
SMILES
CN1CCC(CC1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO2/c1-23-15-12-18(13-16-23)14-17-25-22(24)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3
InChIKey
FXHZKOLTPQSXFL-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-yl)ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 184.0
[M+Na]+ 360.193418 185.7
[M-H]- 336.196924 190.3
[M+NH4]+ 355.238023 194.8
[M+K]+ 376.167358 181.3
[M+H-H2O]+ 320.201460 173.3
[M+HCOO]- 382.202401 199.8
[M+CH3COO]- 396.218051 210.9
[M+Na-2H]- 358.178866 184.1
[M]+ 337.20365142 180.3
[M]- 337.20474858 180.3
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.