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 187.6
[M+Na]+ 368.21962 197.3
[M+NH4]+ 363.26422 196.0
[M+K]+ 384.19356 190.2
[M-H]- 344.22312 192.9
[M+Na-2H]- 366.20507 193.7
[M]+ 345.22985 190.4
[M]- 345.23095 190.4
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.