CID 120497

4-(diethylamino)-1,1-diphenylbut-2-yn-1-ol

Structural Information

Molecular Formula
C20H23NO
SMILES
CCN(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C20H23NO/c1-3-21(4-2)17-11-16-20(22,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,22H,3-4,17H2,1-2H3
InChIKey
JHRYGTLAOSZTOJ-UHFFFAOYSA-N
Compound name
4-(diethylamino)-1,1-diphenylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

293.17798 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 179.6
[M+Na]+ 316.16720 186.3
[M-H]- 292.17070 182.8
[M+NH4]+ 311.21180 192.3
[M+K]+ 332.14114 179.5
[M+H-H2O]+ 276.17524 165.6
[M+HCOO]- 338.17618 194.8
[M+CH3COO]- 352.19183 210.7
[M+Na-2H]- 314.15265 182.3
[M]+ 293.17743 173.7
[M]- 293.17853 173.7
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.