CID 3004489

Nsc657583

Structural Information

Molecular Formula
C10H8N2O4S
SMILES
CC1=CC(=O)/C(=C/N2C(=O)CNC2=S)/C(=O)O1
InChI
InChI=1S/C10H8N2O4S/c1-5-2-7(13)6(9(15)16-5)4-12-8(14)3-11-10(12)17/h2,4H,3H2,1H3,(H,11,17)/b6-4-
InChIKey
RYGVFJQMSITXMC-XQRVVYSFSA-N
Compound name
(3Z)-6-methyl-3-[(5-oxo-2-sulfanylideneimidazolidin-1-yl)methylidene]pyran-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02048 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02776 153.8
[M+Na]+ 275.00970 163.7
[M-H]- 251.01320 157.9
[M+NH4]+ 270.05430 169.0
[M+K]+ 290.98364 159.8
[M+H-H2O]+ 235.01774 147.9
[M+HCOO]- 297.01868 166.3
[M+CH3COO]- 311.03433 187.9
[M+Na-2H]- 272.99515 151.5
[M]+ 252.01993 152.9
[M]- 252.02103 152.9
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

No patent data available for this compound.