CID 199416

4150-93-0

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]+ 294.18526 180.4
[M+Na]+ 316.16720 186.8
[M-H]- 292.17070 183.6
[M+NH4]+ 311.21180 193.0
[M+K]+ 332.14114 180.5
[M+H-H2O]+ 276.17524 166.5
[M+HCOO]- 338.17618 194.6
[M+CH3COO]- 352.19183 211.5
[M+Na-2H]- 314.15265 181.9
[M]+ 293.17743 173.9
[M]- 293.17853 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.