CID 6119979

Brn 0822194

Structural Information

Molecular Formula
C16H10BrClN2OS
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br)Cl
InChI
InChI=1S/C16H10BrClN2OS/c17-11-3-7-13(8-4-11)20-15(21)14(19-16(20)22)9-10-1-5-12(18)6-2-10/h1-9H,(H,19,22)/b14-9-
InChIKey
ULHIQNLUAYGURD-ZROIWOOFSA-N
Compound name
(5Z)-3-(4-bromophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.93857 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.94585 173.4
[M+Na]+ 414.92779 179.0
[M+NH4]+ 409.97239 177.9
[M+K]+ 430.90173 176.6
[M-H]- 390.93129 176.1
[M+Na-2H]- 412.91324 177.6
[M]+ 391.93802 174.5
[M]- 391.93912 174.5
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.