CID 3066652

Propiophenone, 3-(dibutylamino)-4'-propoxy-, hydrochloride

Structural Information

Molecular Formula
C20H33NO2
SMILES
CCCCN(CCCC)CCC(=O)C1=CC=C(C=C1)OCCC
InChI
InChI=1S/C20H33NO2/c1-4-7-14-21(15-8-5-2)16-13-20(22)18-9-11-19(12-10-18)23-17-6-3/h9-12H,4-8,13-17H2,1-3H3
InChIKey
IMXQLCGNHFIVPL-UHFFFAOYSA-N
Compound name
3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.25113 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.25841 184.3
[M+Na]+ 342.24035 187.1
[M-H]- 318.24385 187.5
[M+NH4]+ 337.28495 199.0
[M+K]+ 358.21429 184.7
[M+H-H2O]+ 302.24839 175.8
[M+HCOO]- 364.24933 206.2
[M+CH3COO]- 378.26498 217.8
[M+Na-2H]- 340.22580 184.0
[M]+ 319.25058 190.6
[M]- 319.25168 190.6
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.