CID 5731356

40747-62-4

Structural Information

Molecular Formula
C18H15BrN2O3S
SMILES
COC1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br)OC
InChI
InChI=1S/C18H15BrN2O3S/c1-23-14-8-3-11(16(10-14)24-2)9-15-17(22)21(18(25)20-15)13-6-4-12(19)5-7-13/h3-10H,1-2H3,(H,20,25)/b15-9-
InChIKey
PHNZPQMKWINQHJ-DHDCSXOGSA-N
Compound name
(5Z)-3-(4-bromophenyl)-5-[(2,4-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 182.4
[M+Na]+ 440.98792 186.2
[M+NH4]+ 436.03252 185.3
[M+K]+ 456.96186 185.4
[M-H]- 416.99142 184.1
[M+Na-2H]- 438.97337 185.0
[M]+ 417.99815 182.5
[M]- 417.99925 182.5
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.