CID 29236

1-(2-phenoxyethyl)-4-phenylisonipecotic acid ethyl ester hydrobromide

Structural Information

Molecular Formula
C22H27NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCOC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO3/c1-2-25-21(24)22(19-9-5-3-6-10-19)13-15-23(16-14-22)17-18-26-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3
InChIKey
UHGVOIJOFSZPSF-UHFFFAOYSA-N
Compound name
ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

353.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 188.1
[M+Na]+ 376.18832 191.0
[M-H]- 352.19182 194.6
[M+NH4]+ 371.23292 200.3
[M+K]+ 392.16226 187.0
[M+H-H2O]+ 336.19636 177.2
[M+HCOO]- 398.19730 205.1
[M+CH3COO]- 412.21295 211.6
[M+Na-2H]- 374.17377 190.3
[M]+ 353.19855 186.7
[M]- 353.19965 186.7
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