CID 16749

Ta 98

Structural Information

Molecular Formula
C21H31NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCCC2CCCO2)C3=CC=CC=C3
InChI
InChI=1S/C21H31NO3/c1-2-24-20(23)21(18-8-4-3-5-9-18)12-15-22(16-13-21)14-6-10-19-11-7-17-25-19/h3-5,8-9,19H,2,6-7,10-17H2,1H3
InChIKey
QHDJAMFGKRJOLY-UHFFFAOYSA-N
Compound name
ethyl 1-[3-(oxolan-2-yl)propyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.2304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.23768 186.8
[M+Na]+ 368.21962 188.3
[M-H]- 344.22312 193.6
[M+NH4]+ 363.26422 200.0
[M+K]+ 384.19356 186.0
[M+H-H2O]+ 328.22766 177.5
[M+HCOO]- 390.22860 201.3
[M+CH3COO]- 404.24425 209.2
[M+Na-2H]- 366.20507 185.7
[M]+ 345.22985 183.9
[M]- 345.23095 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.