CID 5997688

(5e)-5-[(3-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

218.05139 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.058666 148.4
[M+Na]+ 241.040608 157.7
[M-H]- 217.044114 150.3
[M+NH4]+ 236.085213 165.6
[M+K]+ 257.014548 150.9
[M+H-H2O]+ 201.048650 142.1
[M+HCOO]- 263.049591 161.9
[M+CH3COO]- 277.065241 179.9
[M+Na-2H]- 239.026056 147.1
[M]+ 218.05084142 144.6
[M]- 218.05193858 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

literature stripe

Patent stripe

No patent data available for this compound.