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 148.9
[M+Na]+ 260.03518 157.1
[M-H]- 236.03868 154.5
[M+NH4]+ 255.07978 165.8
[M+K]+ 276.00912 153.9
[M+H-H2O]+ 220.04322 141.7
[M+HCOO]- 282.04416 164.7
[M+CH3COO]- 296.05981 188.4
[M+Na-2H]- 258.02063 150.7
[M]+ 237.04541 149.6
[M]- 237.04651 149.6
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.