CID 2517663

3-(4-chloro-2-methylphenyl)-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C10H9ClN2OS
SMILES
CC1=C(C=CC(=C1)Cl)N2C(=O)CNC2=S
InChI
InChI=1S/C10H9ClN2OS/c1-6-4-7(11)2-3-8(6)13-9(14)5-12-10(13)15/h2-4H,5H2,1H3,(H,12,15)
InChIKey
FLYGZWLZEIKCIM-UHFFFAOYSA-N
Compound name
3-(4-chloro-2-methylphenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.0124 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.019676 150.4
[M+Na]+ 263.001618 161.6
[M-H]- 239.005124 154.1
[M+NH4]+ 258.046223 168.5
[M+K]+ 278.975558 155.1
[M+H-H2O]+ 223.009660 144.7
[M+HCOO]- 285.010601 160.8
[M+CH3COO]- 299.026251 162.8
[M+Na-2H]- 260.987066 148.9
[M]+ 240.01185142 151.0
[M]- 240.01294858 151.0
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

patents stripe