CID 3060663

78219-45-1

Structural Information

Molecular Formula
C23H29NO2
SMILES
C1CCN(C(C1)CCC2=CC=CC=C2)CCCOC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c25-23(21-12-5-2-6-13-21)26-19-9-18-24-17-8-7-14-22(24)16-15-20-10-3-1-4-11-20/h1-6,10-13,22H,7-9,14-19H2
InChIKey
XEURNYNSWYYZJX-UHFFFAOYSA-N
Compound name
3-[2-(2-phenylethyl)piperidin-1-yl]propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.227096 188.6
[M+Na]+ 374.209038 190.1
[M-H]- 350.212544 194.5
[M+NH4]+ 369.253643 198.8
[M+K]+ 390.182978 184.8
[M+H-H2O]+ 334.217080 177.4
[M+HCOO]- 396.218021 205.0
[M+CH3COO]- 410.233671 212.9
[M+Na-2H]- 372.194486 189.2
[M]+ 351.21927142 185.8
[M]- 351.22036858 185.8
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.