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]+ 238.053236 148.9
[M+Na]+ 260.035178 157.1
[M-H]- 236.038684 154.5
[M+NH4]+ 255.079783 165.8
[M+K]+ 276.009118 153.9
[M+H-H2O]+ 220.043220 141.7
[M+HCOO]- 282.044161 164.7
[M+CH3COO]- 296.059811 188.4
[M+Na-2H]- 258.020626 150.7
[M]+ 237.04541142 149.6
[M]- 237.04650858 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.