CID 453748

Schembl8986040

Structural Information

Molecular Formula
C27H28ClNO2
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H28ClNO2/c28-25-14-12-24(13-15-25)27(31)16-19-29(20-17-27)18-4-7-26(30)23-10-8-22(9-11-23)21-5-2-1-3-6-21/h1-3,5-6,8-15,31H,4,7,16-20H2
InChIKey
GLYCGNAIHOOBSL-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-phenylphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

433.18085 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.18813 207.6
[M+Na]+ 456.17007 211.8
[M-H]- 432.17357 215.8
[M+NH4]+ 451.21467 216.5
[M+K]+ 472.14401 203.5
[M+H-H2O]+ 416.17811 195.9
[M+HCOO]- 478.17905 217.8
[M+CH3COO]- 492.19470 214.4
[M+Na-2H]- 454.15552 207.0
[M]+ 433.18030 205.3
[M]- 433.18140 205.3
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