CID 3040370

3-dibutylamino-4'-ethoxy-3'-ethyl-propiophenone hydrochloride

Structural Information

Molecular Formula
C21H35NO2
SMILES
CCCCN(CCCC)CCC(=O)C1=CC(=C(C=C1)OCC)CC
InChI
InChI=1S/C21H35NO2/c1-5-9-14-22(15-10-6-2)16-13-20(23)19-11-12-21(24-8-4)18(7-3)17-19/h11-12,17H,5-10,13-16H2,1-4H3
InChIKey
PYUPQAWUVBCDKX-UHFFFAOYSA-N
Compound name
3-(dibutylamino)-1-(4-ethoxy-3-ethylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.26678 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.27406 188.2
[M+Na]+ 356.25600 191.5
[M-H]- 332.25950 191.7
[M+NH4]+ 351.30060 202.7
[M+K]+ 372.22994 189.0
[M+H-H2O]+ 316.26404 179.9
[M+HCOO]- 378.26498 209.8
[M+CH3COO]- 392.28063 222.0
[M+Na-2H]- 354.24145 186.8
[M]+ 333.26623 195.3
[M]- 333.26733 195.3
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.