CID 3040368

3-dibutylamino-3'-ethyl-4'-methoxy-propiophenone hydrochloride

Structural Information

Molecular Formula
C20H33NO2
SMILES
CCCCN(CCCC)CCC(=O)C1=CC(=C(C=C1)OC)CC
InChI
InChI=1S/C20H33NO2/c1-5-8-13-21(14-9-6-2)15-12-19(22)18-10-11-20(23-4)17(7-3)16-18/h10-11,16H,5-9,12-15H2,1-4H3
InChIKey
QQCDCYLQOAXNGG-UHFFFAOYSA-N
Compound name
3-(dibutylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.25113 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.25841 183.6
[M+Na]+ 342.24035 187.3
[M-H]- 318.24385 187.3
[M+NH4]+ 337.28495 198.6
[M+K]+ 358.21429 185.0
[M+H-H2O]+ 302.24839 175.5
[M+HCOO]- 364.24933 205.6
[M+CH3COO]- 378.26498 219.0
[M+Na-2H]- 340.22580 182.7
[M]+ 319.25058 190.3
[M]- 319.25168 190.3
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.