CID 6435075

Brn 0820625

Structural Information

Molecular Formula
C17H13IN2OS
SMILES
CC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)N2)C3=CC(=CC=C3)I
InChI
InChI=1S/C17H13IN2OS/c1-11-5-2-3-6-12(11)9-15-16(21)20(17(22)19-15)14-8-4-7-13(18)10-14/h2-10H,1H3,(H,19,22)/b15-9-
InChIKey
OFKFYBDRKATDFD-DHDCSXOGSA-N
Compound name
(5Z)-3-(3-iodophenyl)-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.97934 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.98662 186.0
[M+Na]+ 442.96856 192.2
[M+NH4]+ 438.01316 189.2
[M+K]+ 458.94250 187.0
[M-H]- 418.97206 184.0
[M+Na-2H]- 440.95401 179.8
[M]+ 419.97879 185.7
[M]- 419.97989 185.7
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.