CID 45093

63905-54-4

Structural Information

Molecular Formula
C23H29NO4
SMILES
CCOC(=O)C1(CCN(CC1)CC(COC2=CC=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO4/c1-2-27-22(26)23(19-9-5-3-6-10-19)13-15-24(16-14-23)17-20(25)18-28-21-11-7-4-8-12-21/h3-12,20,25H,2,13-18H2,1H3
InChIKey
ZDAXTCOLRCZCRR-UHFFFAOYSA-N
Compound name
ethyl 1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

383.20966 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 195.2
[M+Na]+ 406.19888 196.7
[M-H]- 382.20238 200.2
[M+NH4]+ 401.24348 205.2
[M+K]+ 422.17282 193.1
[M+H-H2O]+ 366.20692 184.6
[M+HCOO]- 428.20786 209.5
[M+CH3COO]- 442.22351 215.1
[M+Na-2H]- 404.18433 195.5
[M]+ 383.20911 193.2
[M]- 383.21021 193.2
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

patents stripe