CID 6475233

5-(3-(2,4-dichlorobenzyloxy)-benzylidene)-2-thiohydantoin

Structural Information

Molecular Formula
C17H12Cl2N2O2S
SMILES
C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)Cl)Cl)/C=C/3\C(=O)NC(=S)N3
InChI
InChI=1S/C17H12Cl2N2O2S/c18-12-5-4-11(14(19)8-12)9-23-13-3-1-2-10(6-13)7-15-16(22)21-17(24)20-15/h1-8H,9H2,(H2,20,21,22,24)/b15-7+
InChIKey
SOQDTIWZQIJGEO-VIZOYTHASA-N
Compound name
(5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

377.99966 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.00694 184.5
[M+Na]+ 400.98888 194.7
[M-H]- 376.99238 189.1
[M+NH4]+ 396.03348 196.5
[M+K]+ 416.96282 184.6
[M+H-H2O]+ 360.99692 177.8
[M+HCOO]- 422.99786 188.0
[M+CH3COO]- 437.01351 193.6
[M+Na-2H]- 398.97433 180.4
[M]+ 377.99911 185.6
[M]- 378.00021 185.6
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.