CID 3038655

3-dibutylamino-3'-ethyl-4'-(2-hexyloxyethoxy)propiophenone hydrochloride

Structural Information

Molecular Formula
C27H47NO3
SMILES
CCCCCCOCCOC1=C(C=C(C=C1)C(=O)CCN(CCCC)CCCC)CC
InChI
InChI=1S/C27H47NO3/c1-5-9-12-13-20-30-21-22-31-27-15-14-25(23-24(27)8-4)26(29)16-19-28(17-10-6-2)18-11-7-3/h14-15,23H,5-13,16-22H2,1-4H3
InChIKey
PDGPUQIZQPRFNL-UHFFFAOYSA-N
Compound name
3-(dibutylamino)-1-[3-ethyl-4-(2-hexoxyethoxy)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.3556 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.36288 218.4
[M+Na]+ 456.34482 218.9
[M-H]- 432.34832 220.5
[M+NH4]+ 451.38942 228.5
[M+K]+ 472.31876 215.5
[M+H-H2O]+ 416.35286 208.6
[M+HCOO]- 478.35380 238.1
[M+CH3COO]- 492.36945 241.5
[M+Na-2H]- 454.33027 213.8
[M]+ 433.35505 229.0
[M]- 433.35615 229.0
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.