CID 9578442

Ar 2423

Structural Information

Molecular Formula
C10H11N3O6S
SMILES
CS(=O)(=O)C1=CC=C(O1)/C=N/N2CC(=O)N(C2=O)CO
InChI
InChI=1S/C10H11N3O6S/c1-20(17,18)9-3-2-7(19-9)4-11-13-5-8(15)12(6-14)10(13)16/h2-4,14H,5-6H2,1H3/b11-4+
InChIKey
FVKSZDRCWCTLMB-NYYWCZLTSA-N
Compound name
3-(hydroxymethyl)-1-[(E)-(5-methylsulfonylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.03687 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04415 163.8
[M+Na]+ 324.02609 173.7
[M-H]- 300.02959 170.0
[M+NH4]+ 319.07069 178.9
[M+K]+ 340.00003 172.4
[M+H-H2O]+ 284.03413 158.3
[M+HCOO]- 346.03507 181.3
[M+CH3COO]- 360.05072 198.5
[M+Na-2H]- 322.01154 164.5
[M]+ 301.03632 169.4
[M]- 301.03742 169.4
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.