CID 6434271

Brn 0844120

Structural Information

Molecular Formula
C18H15BrN2O3S
SMILES
COC1=CC=CC(=C1OC)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H15BrN2O3S/c1-23-15-5-3-4-11(16(15)24-2)10-14-17(22)21(18(25)20-14)13-8-6-12(19)7-9-13/h3-10H,1-2H3,(H,20,25)/b14-10-
InChIKey
UACFJBOCHCIHFC-UVTDQMKNSA-N
Compound name
(5Z)-3-(4-bromophenyl)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.9987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.00598 180.8
[M+Na]+ 440.98792 193.6
[M-H]- 416.99142 190.1
[M+NH4]+ 436.03252 194.9
[M+K]+ 456.96186 179.3
[M+H-H2O]+ 400.99596 179.8
[M+HCOO]- 462.99690 193.6
[M+CH3COO]- 477.01255 215.4
[M+Na-2H]- 438.97337 179.6
[M]+ 417.99815 201.4
[M]- 417.99925 201.4
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.