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 201.2
[M+Na]+ 414.26147 202.3
[M-H]- 390.26497 204.5
[M+NH4]+ 409.30607 209.3
[M+K]+ 430.23541 199.9
[M+H-H2O]+ 374.26951 190.7
[M+HCOO]- 436.27045 215.8
[M+CH3COO]- 450.28610 223.0
[M+Na-2H]- 412.24692 199.6
[M]+ 391.27170 205.3
[M]- 391.27280 205.3
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.