CID 6434269

Brn 0828687

Structural Information

Molecular Formula
C17H13BrN2O2S
SMILES
COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H13BrN2O2S/c1-22-14-4-2-3-11(9-14)10-15-16(21)20(17(23)19-15)13-7-5-12(18)6-8-13/h2-10H,1H3,(H,19,23)/b15-10-
InChIKey
QHVDAJVSDZKARR-GDNBJRDFSA-N
Compound name
(5Z)-3-(4-bromophenyl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.9881 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.99538 174.3
[M+Na]+ 410.97732 178.5
[M+NH4]+ 406.02192 178.0
[M+K]+ 426.95126 177.3
[M-H]- 386.98082 176.5
[M+Na-2H]- 408.96277 177.9
[M]+ 387.98755 174.7
[M]- 387.98865 174.7
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.