CID 16750

2260-46-0

Structural Information

Molecular Formula
C22H33NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCCCC2CCCO2)C3=CC=CC=C3
InChI
InChI=1S/C22H33NO3/c1-2-25-21(24)22(19-9-4-3-5-10-19)13-16-23(17-14-22)15-7-6-11-20-12-8-18-26-20/h3-5,9-10,20H,2,6-8,11-18H2,1H3
InChIKey
KYEXKNZXSZSPFG-UHFFFAOYSA-N
Compound name
ethyl 1-[4-(oxolan-2-yl)butyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

359.24603 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.25331 191.2
[M+Na]+ 382.23525 192.2
[M-H]- 358.23875 197.8
[M+NH4]+ 377.27985 203.8
[M+K]+ 398.20919 189.7
[M+H-H2O]+ 342.24329 181.7
[M+HCOO]- 404.24423 205.4
[M+CH3COO]- 418.25988 212.1
[M+Na-2H]- 380.22070 189.5
[M]+ 359.24548 188.6
[M]- 359.24658 188.6
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.