CID 199826

1-(2-(p-(3-piperidino-1-propynyl)phenyl)ethynyl)cyclohexanol

Structural Information

Molecular Formula
C22H27NO
SMILES
C1CCC(CC1)(C#CC2=CC=C(C=C2)C#CCN3CCCCC3)O
InChI
InChI=1S/C22H27NO/c24-22(14-3-1-4-15-22)16-13-21-11-9-20(10-12-21)8-7-19-23-17-5-2-6-18-23/h9-12,24H,1-6,14-15,17-19H2
InChIKey
TVSLPSZUXLPPRE-UHFFFAOYSA-N
Compound name
1-[2-[4-(3-piperidin-1-ylprop-1-ynyl)phenyl]ethynyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 182.8
[M+Na]+ 344.198478 190.7
[M-H]- 320.201984 184.5
[M+NH4]+ 339.243083 191.4
[M+K]+ 360.172418 178.6
[M+H-H2O]+ 304.206520 166.5
[M+HCOO]- 366.207461 185.1
[M+CH3COO]- 380.223111 186.2
[M+Na-2H]- 342.183926 180.6
[M]+ 321.20871142 167.6
[M]- 321.20980858 167.6
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.