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

889
Patents

321.194 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.201276 178.6
[M+Na]+ 344.183218 181.5
[M-H]- 320.186724 180.9
[M+NH4]+ 339.227823 192.1
[M+K]+ 360.157158 178.9
[M+H-H2O]+ 304.191260 170.0
[M+HCOO]- 366.192201 194.5
[M+CH3COO]- 380.207851 203.3
[M+Na-2H]- 342.168666 180.5
[M]+ 321.19345142 178.5
[M]- 321.19454858 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

literature stripe

Patent stripe

patents stripe