CID 6434272

Brn 0825258

Structural Information

Molecular Formula
C16H10BrClN2OS
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br)Cl
InChI
InChI=1S/C16H10BrClN2OS/c17-11-5-7-12(8-6-11)20-15(21)14(19-16(20)22)9-10-3-1-2-4-13(10)18/h1-9H,(H,19,22)/b14-9-
InChIKey
XIWMWFXIKLITMH-ZROIWOOFSA-N
Compound name
(5Z)-3-(4-bromophenyl)-5-[(2-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 172.7
[M+Na]+ 414.92779 187.2
[M-H]- 390.93129 182.1
[M+NH4]+ 409.97239 188.8
[M+K]+ 430.90173 170.7
[M+H-H2O]+ 374.93583 172.7
[M+HCOO]- 436.93677 181.6
[M+CH3COO]- 450.95242 185.8
[M+Na-2H]- 412.91324 172.4
[M]+ 391.93802 191.7
[M]- 391.93912 191.7
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.