CID 6030427

134811-21-5

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
C/C=C/C=C1C(=O)NC(=S)NC1=O
InChI
InChI=1S/C8H8N2O2S/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h2-4H,1H3,(H2,9,10,11,12,13)/b3-2+
InChIKey
KXNPSQQNORGKEB-NSCUHMNNSA-N
Compound name
5-[(E)-but-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03065 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03793 141.9
[M+Na]+ 219.01987 150.1
[M-H]- 195.02337 140.0
[M+NH4]+ 214.06447 158.0
[M+K]+ 234.99381 144.0
[M+H-H2O]+ 179.02791 136.2
[M+HCOO]- 241.02885 152.9
[M+CH3COO]- 255.04450 175.5
[M+Na-2H]- 217.00532 141.2
[M]+ 196.03010 137.0
[M]- 196.03120 137.0
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.