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

56
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 175.7
[M+Na]+ 314.15154 189.0
[M+NH4]+ 309.19614 180.6
[M+K]+ 330.12548 177.6
[M-H]- 290.15504 172.7
[M+Na-2H]- 312.13699 181.6
[M]+ 291.16177 176.1
[M]- 291.16287 176.1
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