CID 41954

1-(4-(methylsulfonyl)phenyl)-2-(4-morpholinyl)ethanone maleate

Structural Information

Molecular Formula
C13H17NO4S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCOCC2
InChI
InChI=1S/C13H17NO4S/c1-19(16,17)12-4-2-11(3-5-12)13(15)10-14-6-8-18-9-7-14/h2-5H,6-10H2,1H3
InChIKey
WPVWXGFZOOMIKW-UHFFFAOYSA-N
Compound name
1-(4-methylsulfonylphenyl)-2-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08783 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 161.5
[M+Na]+ 306.07705 172.3
[M+NH4]+ 301.12165 168.0
[M+K]+ 322.05099 166.1
[M-H]- 282.08055 164.1
[M+Na-2H]- 304.06250 166.5
[M]+ 283.08728 164.1
[M]- 283.08838 164.1
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.