CID 384429

5,6-dimethyl-1h,2h,4h-thieno[2,3-d][1,3]oxazine-2,4-dione

Structural Information

Molecular Formula
C8H7NO3S
SMILES
CC1=C(SC2=C1C(=O)OC(=O)N2)C
InChI
InChI=1S/C8H7NO3S/c1-3-4(2)13-6-5(3)7(10)12-8(11)9-6/h1-2H3,(H,9,11)
InChIKey
GZENPAIGBVRRTH-UHFFFAOYSA-N
Compound name
5,6-dimethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

197.01466 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.021936 134.1
[M+Na]+ 220.003878 148.5
[M-H]- 196.007384 139.1
[M+NH4]+ 215.048483 154.9
[M+K]+ 235.977818 145.6
[M+H-H2O]+ 180.011920 129.8
[M+HCOO]- 242.012861 153.5
[M+CH3COO]- 256.028511 178.6
[M+Na-2H]- 217.989326 139.0
[M]+ 197.01411142 140.9
[M]- 197.01520858 140.9
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

patents stripe