CID 9889700

5-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile

Structural Information

Molecular Formula
C28H29ClN2O
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H29ClN2O/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,32H,7,16-21H2
InChIKey
MEEJEEVTIVAOJP-UHFFFAOYSA-N
Compound name
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

21
Patents

444.19684 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.20412 216.4
[M+Na]+ 467.18606 223.6
[M-H]- 443.18956 221.7
[M+NH4]+ 462.23066 223.7
[M+K]+ 483.16000 210.7
[M+H-H2O]+ 427.19410 198.9
[M+HCOO]- 489.19504 222.7
[M+CH3COO]- 503.21069 221.0
[M+Na-2H]- 465.17151 216.8
[M]+ 444.19629 208.1
[M]- 444.19739 208.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe