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

5
Patents

197.01466 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.02194 134.1
[M+Na]+ 220.00388 148.5
[M-H]- 196.00738 139.1
[M+NH4]+ 215.04848 154.9
[M+K]+ 235.97782 145.6
[M+H-H2O]+ 180.01192 129.8
[M+HCOO]- 242.01286 153.5
[M+CH3COO]- 256.02851 178.6
[M+Na-2H]- 217.98933 139.0
[M]+ 197.01411 140.9
[M]- 197.01521 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