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 192.8
[M+Na]+ 370.27166 195.7
[M-H]- 346.27516 196.0
[M+NH4]+ 365.31626 206.7
[M+K]+ 386.24560 192.9
[M+H-H2O]+ 330.27970 184.3
[M+HCOO]- 392.28064 214.1
[M+CH3COO]- 406.29629 224.9
[M+Na-2H]- 368.25711 190.8
[M]+ 347.28189 200.2
[M]- 347.28299 200.2
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.