CID 3038663

4'-(4-butoxybutoxy)-3'-ethyl-3-morpholinopropiophenone hydrochloride

Structural Information

Molecular Formula
C23H37NO4
SMILES
CCCCOCCCCOC1=C(C=C(C=C1)C(=O)CCN2CCOCC2)CC
InChI
InChI=1S/C23H37NO4/c1-3-5-14-26-15-6-7-16-28-23-9-8-21(19-20(23)4-2)22(25)10-11-24-12-17-27-18-13-24/h8-9,19H,3-7,10-18H2,1-2H3
InChIKey
UONJBMPDKBHNPV-UHFFFAOYSA-N
Compound name
1-[4-(4-butoxybutoxy)-3-ethylphenyl]-3-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.27225 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.27953 200.5
[M+Na]+ 414.26147 210.5
[M+NH4]+ 409.30607 205.8
[M+K]+ 430.23541 203.0
[M-H]- 390.26497 203.8
[M+Na-2H]- 412.24692 203.5
[M]+ 391.27170 202.7
[M]- 391.27280 202.7
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.