CID 740291

Nsc659435

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
COC1=CC=CC=C1/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C11H10N2O2S/c1-15-9-5-3-2-4-7(9)6-8-10(14)13-11(16)12-8/h2-6H,1H3,(H2,12,13,14,16)/b8-6+
InChIKey
HAZHCCPUFOGUFI-SOFGYWHQSA-N
Compound name
(5E)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0463 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 151.6
[M+Na]+ 257.03552 160.7
[M-H]- 233.03902 153.5
[M+NH4]+ 252.08012 168.1
[M+K]+ 273.00946 154.5
[M+H-H2O]+ 217.04356 145.1
[M+HCOO]- 279.04450 165.3
[M+CH3COO]- 293.06015 182.1
[M+Na-2H]- 255.02097 150.5
[M]+ 234.04575 149.2
[M]- 234.04685 149.2
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.