CID 3057296

74019-45-7

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
CCC1C(SC(=O)NC1=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H12N2O4S/c1-2-7-10(19-12(16)13-11(7)15)8-5-3-4-6-9(8)14(17)18/h3-7,10H,2H2,1H3,(H,13,15,16)
InChIKey
DVYGMWQKBXVHQG-UHFFFAOYSA-N
Compound name
5-ethyl-6-(2-nitrophenyl)-1,3-thiazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0518 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05908 157.8
[M+Na]+ 303.04102 169.9
[M+NH4]+ 298.08562 164.7
[M+K]+ 319.01496 165.1
[M-H]- 279.04452 161.2
[M+Na-2H]- 301.02647 162.5
[M]+ 280.05125 160.6
[M]- 280.05235 160.6
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.