CID 15536835

214746-69-7

Structural Information

Molecular Formula
C20H21NO
SMILES
C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)N3CCCCC3)O
InChI
InChI=1S/C20H21NO/c1-2-20(22,17-9-5-3-6-10-17)18-11-13-19(14-12-18)21-15-7-4-8-16-21/h1,3,5-6,9-14,22H,4,7-8,15-16H2
InChIKey
AIBIEAJBGHJQJF-UHFFFAOYSA-N
Compound name
1-phenyl-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

291.16232 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 175.8
[M+Na]+ 314.15154 182.5
[M-H]- 290.15504 178.5
[M+NH4]+ 309.19614 186.4
[M+K]+ 330.12548 173.4
[M+H-H2O]+ 274.15958 160.8
[M+HCOO]- 336.16052 185.6
[M+CH3COO]- 350.17617 182.9
[M+Na-2H]- 312.13699 177.9
[M]+ 291.16177 164.1
[M]- 291.16287 164.1
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