CID 207542

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

Structural Information

Molecular Formula
C23H39NO2
SMILES
CCCCN(CCCC)CCC(=O)C1=CC(=C(C=C1)OCCCC)CC
InChI
InChI=1S/C23H39NO2/c1-5-9-15-24(16-10-6-2)17-14-22(25)21-12-13-23(20(8-4)19-21)26-18-11-7-3/h12-13,19H,5-11,14-18H2,1-4H3
InChIKey
LRGLPGKXSHUUGL-UHFFFAOYSA-N
Compound name
1-(4-butoxy-3-ethylphenyl)-3-(dibutylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.29807 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.305346 197.4
[M+Na]+ 384.287288 199.8
[M-H]- 360.290794 200.4
[M+NH4]+ 379.331893 210.6
[M+K]+ 400.261228 196.8
[M+H-H2O]+ 344.295330 188.6
[M+HCOO]- 406.296271 218.3
[M+CH3COO]- 420.311921 227.9
[M+Na-2H]- 382.272736 194.8
[M]+ 361.29752142 205.2
[M]- 361.29861858 205.2
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.