CID 710216

Chembl3623271

Structural Information

Molecular Formula
C11H10N2OS
SMILES
CC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C11H10N2OS/c1-7-2-4-8(5-3-7)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6+
InChIKey
LVZWRKRBUQBXCG-RMKNXTFCSA-N
Compound name
(5E)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

218.05139 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 148.4
[M+Na]+ 241.04061 157.7
[M-H]- 217.04411 150.3
[M+NH4]+ 236.08521 165.6
[M+K]+ 257.01455 150.9
[M+H-H2O]+ 201.04865 142.1
[M+HCOO]- 263.04959 161.9
[M+CH3COO]- 277.06524 179.9
[M+Na-2H]- 239.02606 147.1
[M]+ 218.05084 144.6
[M]- 218.05194 144.6
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.