CID 61122

Etoxeridine

Structural Information

Molecular Formula
C18H27NO4
SMILES
CCOC(=O)C1(CCN(CC1)CCOCCO)C2=CC=CC=C2
InChI
InChI=1S/C18H27NO4/c1-2-23-17(21)18(16-6-4-3-5-7-16)8-10-19(11-9-18)12-14-22-15-13-20/h3-7,20H,2,8-15H2,1H3
InChIKey
KJTKYGFGPQSRRA-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(2-hydroxyethoxy)ethyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

885
Patents

321.194 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20128 178.6
[M+Na]+ 344.18322 181.5
[M-H]- 320.18672 180.9
[M+NH4]+ 339.22782 192.1
[M+K]+ 360.15716 178.9
[M+H-H2O]+ 304.19126 170.0
[M+HCOO]- 366.19220 194.5
[M+CH3COO]- 380.20785 203.3
[M+Na-2H]- 342.16867 180.5
[M]+ 321.19345 178.5
[M]- 321.19455 178.5
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.