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
3
Annotation Hits

0
References

795
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 179.2
[M+Na]+ 344.18322 189.0
[M+NH4]+ 339.22782 186.5
[M+K]+ 360.15716 180.8
[M-H]- 320.18672 180.7
[M+Na-2H]- 342.16867 185.1
[M]+ 321.19345 180.9
[M]- 321.19455 180.9
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

patents stripe