CID 59732

Ta 51

Structural Information

Molecular Formula
C28H31NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCOC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H31NO3/c1-2-31-27(30)28(25-11-7-4-8-12-25)17-19-29(20-18-28)21-22-32-26-15-13-24(14-16-26)23-9-5-3-6-10-23/h3-16H,2,17-22H2,1H3
InChIKey
QEWQGIDQYLOAOL-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-1-[2-(4-phenylphenoxy)ethyl]piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.2304 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.23768 209.5
[M+Na]+ 452.21962 211.7
[M-H]- 428.22312 218.6
[M+NH4]+ 447.26422 217.9
[M+K]+ 468.19356 206.2
[M+H-H2O]+ 412.22766 196.3
[M+HCOO]- 474.22860 225.4
[M+CH3COO]- 488.24425 216.2
[M+Na-2H]- 450.20507 209.9
[M]+ 429.22985 207.4
[M]- 429.23095 207.4
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.