CID 19061

Ta 108

Structural Information

Molecular Formula
C23H35NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCCCCC2CCCO2)C3=CC=CC=C3
InChI
InChI=1S/C23H35NO3/c1-2-26-22(25)23(20-10-5-3-6-11-20)14-17-24(18-15-23)16-8-4-7-12-21-13-9-19-27-21/h3,5-6,10-11,21H,2,4,7-9,12-19H2,1H3
InChIKey
XQDDBZPLKHZVKW-UHFFFAOYSA-N
Compound name
ethyl 1-[5-(oxolan-2-yl)pentyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2617 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.26898 195.6
[M+Na]+ 396.25092 196.1
[M-H]- 372.25442 202.0
[M+NH4]+ 391.29552 207.6
[M+K]+ 412.22486 193.4
[M+H-H2O]+ 356.25896 185.9
[M+HCOO]- 418.25990 209.4
[M+CH3COO]- 432.27555 215.1
[M+Na-2H]- 394.23637 193.4
[M]+ 373.26115 193.3
[M]- 373.26225 193.3
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.