CID 200471

2110-53-4

Structural Information

Molecular Formula
C20H22N2O
SMILES
C1CCN(CC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=N3)O
InChI
InChI=1S/C20H22N2O/c23-20(18-10-3-1-4-11-18,19-12-5-6-14-21-19)13-9-17-22-15-7-2-8-16-22/h1,3-6,10-12,14,23H,2,7-8,15-17H2
InChIKey
XRJYDHWPJWNJOW-UHFFFAOYSA-N
Compound name
1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 178.3
[M+Na]+ 329.16244 183.8
[M-H]- 305.16594 178.9
[M+NH4]+ 324.20704 186.7
[M+K]+ 345.13638 174.8
[M+H-H2O]+ 289.17048 161.8
[M+HCOO]- 351.17142 186.6
[M+CH3COO]- 365.18707 184.2
[M+Na-2H]- 327.14789 181.0
[M]+ 306.17267 166.2
[M]- 306.17377 166.2
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.