CID 10877539

103979-54-0

Structural Information

Molecular Formula
C6H3NO3S
SMILES
C1=CSC2=C1C(=O)OC(=O)N2
InChI
InChI=1S/C6H3NO3S/c8-5-3-1-2-11-4(3)7-6(9)10-5/h1-2H,(H,7,9)
InChIKey
YPNJLKYQXUBRHJ-UHFFFAOYSA-N
Compound name
1H-thieno[2,3-d][1,3]oxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

168.98337 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.99065 125.3
[M+Na]+ 191.97259 138.9
[M-H]- 167.97609 129.8
[M+NH4]+ 187.01719 146.7
[M+K]+ 207.94653 136.5
[M+H-H2O]+ 151.98063 120.8
[M+HCOO]- 213.98157 145.4
[M+CH3COO]- 227.99722 141.1
[M+Na-2H]- 189.95804 132.5
[M]+ 168.98282 130.6
[M]- 168.98392 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe