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]+ 362.30535 197.4
[M+Na]+ 384.28729 199.8
[M-H]- 360.29079 200.4
[M+NH4]+ 379.33189 210.6
[M+K]+ 400.26123 196.8
[M+H-H2O]+ 344.29533 188.6
[M+HCOO]- 406.29627 218.3
[M+CH3COO]- 420.31192 227.9
[M+Na-2H]- 382.27274 194.8
[M]+ 361.29752 205.2
[M]- 361.29862 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.