CID 200474

2110-55-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 177.4
[M+Na]+ 317.16244 184.0
[M-H]- 293.16594 179.1
[M+NH4]+ 312.20704 188.6
[M+K]+ 333.13638 177.7
[M+H-H2O]+ 277.17048 162.3
[M+HCOO]- 339.17142 191.5
[M+CH3COO]- 353.18707 210.4
[M+Na-2H]- 315.14789 180.8
[M]+ 294.17267 171.4
[M]- 294.17377 171.4
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.