CID 3070006

2-propanone, 3-(dimethylamino)-1,1-diphenyl-1-(2-butynyloxy)-, hydrochloride

Structural Information

Molecular Formula
C21H23NO2
SMILES
CC#CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)CN(C)C
InChI
InChI=1S/C21H23NO2/c1-4-5-16-24-21(20(23)17-22(2)3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,16-17H2,1-3H3
InChIKey
DBVILSKBTXJWLQ-UHFFFAOYSA-N
Compound name
1-but-2-ynoxy-3-(dimethylamino)-1,1-diphenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 185.6
[M+Na]+ 344.16210 192.0
[M-H]- 320.16560 189.8
[M+NH4]+ 339.20670 197.5
[M+K]+ 360.13604 186.3
[M+H-H2O]+ 304.17014 170.9
[M+HCOO]- 366.17108 201.1
[M+CH3COO]- 380.18673 218.0
[M+Na-2H]- 342.14755 187.1
[M]+ 321.17233 181.7
[M]- 321.17343 181.7
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.