CID 6434268

Brn 0832191

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/c1-22-15-5-3-2-4-11(15)10-14-16(21)20(17(23)19-14)13-8-6-12(18)7-9-13/h2-10H,1H3,(H,19,23)/b14-10-
InChIKey
LHLAICAJBWWKQH-UVTDQMKNSA-N
Compound name
(5Z)-3-(4-bromophenyl)-5-[(2-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 174.1
[M+Na]+ 410.97732 187.0
[M-H]- 386.98082 183.3
[M+NH4]+ 406.02192 189.3
[M+K]+ 426.95126 172.3
[M+H-H2O]+ 370.98536 173.3
[M+HCOO]- 432.98630 187.2
[M+CH3COO]- 447.00195 186.8
[M+Na-2H]- 408.96277 173.8
[M]+ 387.98755 192.8
[M]- 387.98865 192.8
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.