CID 3004545

Nsc658320

Structural Information

Molecular Formula
C7H8N4O3S
SMILES
C1C(=O)NC(=S)N1C=C(C(=O)N)C(=O)N
InChI
InChI=1S/C7H8N4O3S/c8-5(13)3(6(9)14)1-11-2-4(12)10-7(11)15/h1H,2H2,(H2,8,13)(H2,9,14)(H,10,12,15)
InChIKey
SEDUPIQXYIUZDT-UHFFFAOYSA-N
Compound name
2-[(4-oxo-2-sulfanylideneimidazolidin-1-yl)methylidene]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03171 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03899 149.5
[M+Na]+ 251.02093 155.6
[M-H]- 227.02443 148.2
[M+NH4]+ 246.06553 164.8
[M+K]+ 266.99487 152.0
[M+H-H2O]+ 211.02897 142.8
[M+HCOO]- 273.02991 162.2
[M+CH3COO]- 287.04556 188.2
[M+Na-2H]- 249.00638 145.2
[M]+ 228.03116 143.9
[M]- 228.03226 143.9
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.