CID 59715

Ta 43

Structural Information

Molecular Formula
C25H31NO5
SMILES
CCOC(=O)C1=CC=C(C=C1)OCCN2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC
InChI
InChI=1S/C25H31NO5/c1-3-29-23(27)20-10-12-22(13-11-20)31-19-18-26-16-14-25(15-17-26,24(28)30-4-2)21-8-6-5-7-9-21/h5-13H,3-4,14-19H2,1-2H3
InChIKey
HWYLJQNBTAQRIP-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(4-ethoxycarbonylphenoxy)ethyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.2202 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.22748 205.2
[M+Na]+ 448.20942 207.4
[M-H]- 424.21292 211.7
[M+NH4]+ 443.25402 214.4
[M+K]+ 464.18336 204.4
[M+H-H2O]+ 408.21746 194.0
[M+HCOO]- 470.21840 220.7
[M+CH3COO]- 484.23405 225.2
[M+Na-2H]- 446.19487 204.5
[M]+ 425.21965 206.8
[M]- 425.22075 206.8
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.