CID 354733

Tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one 5,5-dioxide

Structural Information

Molecular Formula
C5H8N2O3S
SMILES
C1C2C(CS1(=O)=O)NC(=O)N2
InChI
InChI=1S/C5H8N2O3S/c8-5-6-3-1-11(9,10)2-4(3)7-5/h3-4H,1-2H2,(H2,6,7,8)
InChIKey
ZDWQNWWGFIYOOO-UHFFFAOYSA-N
Compound name
5,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

176.02556 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03284 134.0
[M+Na]+ 199.01478 144.3
[M-H]- 175.01828 133.9
[M+NH4]+ 194.05938 157.4
[M+K]+ 214.98872 141.2
[M+H-H2O]+ 159.02282 130.4
[M+HCOO]- 221.02376 147.5
[M+CH3COO]- 235.03941 168.1
[M+Na-2H]- 197.00023 135.5
[M]+ 176.02501 132.1
[M]- 176.02611 132.1
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.