CID 3071132

2-(4-phenylpiperidino)-2-oxoethyl-2-(2'-chloro-4-biphenylyl)propionate

Structural Information

Molecular Formula
C28H28ClNO3
SMILES
CC(C1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)OCC(=O)N3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C28H28ClNO3/c1-20(21-11-13-24(14-12-21)25-9-5-6-10-26(25)29)28(32)33-19-27(31)30-17-15-23(16-18-30)22-7-3-2-4-8-22/h2-14,20,23H,15-19H2,1H3
InChIKey
QIKDHEALCYXTOT-UHFFFAOYSA-N
Compound name
[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl] 2-[4-(2-chlorophenyl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

461.17578 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.18306 212.3
[M+Na]+ 484.16500 214.9
[M-H]- 460.16850 221.5
[M+NH4]+ 479.20960 218.5
[M+K]+ 500.13894 208.3
[M+H-H2O]+ 444.17304 200.4
[M+HCOO]- 506.17398 222.0
[M+CH3COO]- 520.18963 232.0
[M+Na-2H]- 482.15045 208.8
[M]+ 461.17523 211.3
[M]- 461.17633 211.3
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