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]+ 292.169596 175.8
[M+Na]+ 314.151538 182.5
[M-H]- 290.155044 178.5
[M+NH4]+ 309.196143 186.4
[M+K]+ 330.125478 173.4
[M+H-H2O]+ 274.159580 160.8
[M+HCOO]- 336.160521 185.6
[M+CH3COO]- 350.176171 182.9
[M+Na-2H]- 312.136986 177.9
[M]+ 291.16177142 164.1
[M]- 291.16286858 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