CID 3806890

338421-02-6

Structural Information

Molecular Formula
C11H11NO4S
SMILES
COC1=CC=C(C=C1)N2C(=O)CS(=O)CC2=O
InChI
InChI=1S/C11H11NO4S/c1-16-9-4-2-8(3-5-9)12-10(13)6-17(15)7-11(12)14/h2-5H,6-7H2,1H3
InChIKey
ZYTYZJMMVLRABW-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-1-oxo-1,4-thiazinane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.04088 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04816 151.1
[M+Na]+ 276.03010 160.1
[M-H]- 252.03360 157.0
[M+NH4]+ 271.07470 167.5
[M+K]+ 292.00404 156.9
[M+H-H2O]+ 236.03814 144.0
[M+HCOO]- 298.03908 167.2
[M+CH3COO]- 312.05473 191.1
[M+Na-2H]- 274.01555 152.4
[M]+ 253.04033 152.9
[M]- 253.04143 152.9
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.