CID 199416

5-(dimethylamino)-4-methyl-1,3-diphenylpent-1-yn-3-ol

Structural Information

Molecular Formula
C20H23NO
SMILES
CC(CN(C)C)C(C#CC1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C20H23NO/c1-17(16-21(2)3)20(22,19-12-8-5-9-13-19)15-14-18-10-6-4-7-11-18/h4-13,17,22H,16H2,1-3H3
InChIKey
PBLGECCGXYZHSI-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-4-methyl-1,3-diphenylpent-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 180.4
[M+Na]+ 316.167198 186.8
[M-H]- 292.170704 183.6
[M+NH4]+ 311.211803 193.0
[M+K]+ 332.141138 180.5
[M+H-H2O]+ 276.175240 166.5
[M+HCOO]- 338.176181 194.6
[M+CH3COO]- 352.191831 211.5
[M+Na-2H]- 314.152646 181.9
[M]+ 293.17743142 173.9
[M]- 293.17852858 173.9
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.