CID 200482

2128-79-2

Structural Information

Molecular Formula
C19H22N2O
SMILES
CCN(CC)CC#CC(C1=CC=CC=C1)(C2=CC=NC=C2)O
InChI
InChI=1S/C19H22N2O/c1-3-21(4-2)16-8-13-19(22,17-9-6-5-7-10-17)18-11-14-20-15-12-18/h5-7,9-12,14-15,22H,3-4,16H2,1-2H3
InChIKey
CWDQYAVTOVDNLX-UHFFFAOYSA-N
Compound name
4-(diethylamino)-1-phenyl-1-pyridin-4-ylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 175.5
[M+Na]+ 317.16244 187.6
[M+NH4]+ 312.20704 179.4
[M+K]+ 333.13638 176.9
[M-H]- 293.16594 171.0
[M+Na-2H]- 315.14789 180.5
[M]+ 294.17267 175.2
[M]- 294.17377 175.2
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.