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]+ 322.21654 182.8
[M+Na]+ 344.19848 190.7
[M-H]- 320.20198 184.5
[M+NH4]+ 339.24308 191.4
[M+K]+ 360.17242 178.6
[M+H-H2O]+ 304.20652 166.5
[M+HCOO]- 366.20746 185.1
[M+CH3COO]- 380.22311 186.2
[M+Na-2H]- 342.18393 180.6
[M]+ 321.20871 167.6
[M]- 321.20981 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.