CID 207470

3'-ethyl-3-morpholino-4'-propoxy-propiophenone hydrochloride

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCCOC1=C(C=C(C=C1)C(=O)CCN2CCOCC2)CC
InChI
InChI=1S/C18H27NO3/c1-3-11-22-18-6-5-16(14-15(18)4-2)17(20)7-8-19-9-12-21-13-10-19/h5-6,14H,3-4,7-13H2,1-2H3
InChIKey
DTKNHDJPQXZERU-UHFFFAOYSA-N
Compound name
1-(3-ethyl-4-propoxyphenyl)-3-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 175.9
[M+Na]+ 328.188318 179.4
[M-H]- 304.191824 180.3
[M+NH4]+ 323.232923 187.7
[M+K]+ 344.162258 177.6
[M+H-H2O]+ 288.196360 166.7
[M+HCOO]- 350.197301 192.1
[M+CH3COO]- 364.212951 206.1
[M+Na-2H]- 326.173766 176.9
[M]+ 305.19855142 176.9
[M]- 305.19964858 176.9
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.