CID 209937

20800-05-9

Structural Information

Molecular Formula
C16H23NO4
SMILES
CCC(=O)C1=C(C=C(C=C1)OC)OCCN2CCOCC2
InChI
InChI=1S/C16H23NO4/c1-3-15(18)14-5-4-13(19-2)12-16(14)21-11-8-17-6-9-20-10-7-17/h4-5,12H,3,6-11H2,1-2H3
InChIKey
AMSBRVKXMYOTLJ-UHFFFAOYSA-N
Compound name
1-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 169.4
[M+Na]+ 316.151938 173.7
[M-H]- 292.155444 174.2
[M+NH4]+ 311.196543 181.7
[M+K]+ 332.125878 173.0
[M+H-H2O]+ 276.159980 160.4
[M+HCOO]- 338.160921 186.6
[M+CH3COO]- 352.176571 202.3
[M+Na-2H]- 314.137386 171.7
[M]+ 293.16217142 171.2
[M]- 293.16326858 171.2
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.