CID 13266406

91324-45-7

Structural Information

Molecular Formula
C21H23NO
SMILES
CN1CCC(CC1)C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H23NO/c1-22-16-13-18(14-17-22)12-15-21(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,23H,13-14,16-17H2,1H3
InChIKey
MBKPZXKCWLKVFC-UHFFFAOYSA-N
Compound name
3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

305.17798 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 180.0
[M+Na]+ 328.16720 193.2
[M+NH4]+ 323.21180 184.8
[M+K]+ 344.14114 181.5
[M-H]- 304.17070 177.0
[M+Na-2H]- 326.15265 185.6
[M]+ 305.17743 180.4
[M]- 305.17853 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.