CID 3814644

4-(4-methoxyphenyl)thiomorpholine-3,5-dione

Structural Information

Molecular Formula
C11H11NO3S
SMILES
COC1=CC=C(C=C1)N2C(=O)CSCC2=O
InChI
InChI=1S/C11H11NO3S/c1-15-9-4-2-8(3-5-9)12-10(13)6-16-7-11(12)14/h2-5H,6-7H2,1H3
InChIKey
QCGJCYTYSYJEBC-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)thiomorpholine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.04596 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.05324 150.2
[M+Na]+ 260.03518 163.0
[M+NH4]+ 255.07978 158.5
[M+K]+ 276.00912 154.8
[M-H]- 236.03868 153.4
[M+Na-2H]- 258.02063 156.6
[M]+ 237.04541 153.3
[M]- 237.04651 153.3
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.