CID 207540

3-(dibutylamino)-3'-ethyl-4'-propoxy-propiophenone hydrochloride

Structural Information

Molecular Formula
C22H37NO2
SMILES
CCCCN(CCCC)CCC(=O)C1=CC(=C(C=C1)OCCC)CC
InChI
InChI=1S/C22H37NO2/c1-5-9-14-23(15-10-6-2)16-13-21(24)20-11-12-22(25-17-7-3)19(8-4)18-20/h11-12,18H,5-10,13-17H2,1-4H3
InChIKey
ABOIEQRLWQXWHS-UHFFFAOYSA-N
Compound name
3-(dibutylamino)-1-(3-ethyl-4-propoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.28244 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.28972 191.4
[M+Na]+ 370.27166 201.1
[M+NH4]+ 365.31626 197.6
[M+K]+ 386.24560 193.0
[M-H]- 346.27516 193.5
[M+Na-2H]- 368.25711 194.8
[M]+ 347.28189 193.2
[M]- 347.28299 193.2
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.