CID 6435071

3-(3-iodophenyl)-5-(phenylmethylene)-2-thioxo-4-imidazolidinone

Structural Information

Molecular Formula
C16H11IN2OS
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC(=CC=C3)I
InChI
InChI=1S/C16H11IN2OS/c17-12-7-4-8-13(10-12)19-15(20)14(18-16(19)21)9-11-5-2-1-3-6-11/h1-10H,(H,18,21)/b14-9-
InChIKey
KOJMZHLEVKJCKI-ZROIWOOFSA-N
Compound name
(5Z)-5-benzylidene-3-(3-iodophenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.96368 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.97096 181.0
[M+Na]+ 428.95290 187.0
[M+NH4]+ 423.99750 184.3
[M+K]+ 444.92684 181.9
[M-H]- 404.95640 179.0
[M+Na-2H]- 426.93835 175.3
[M]+ 405.96313 180.6
[M]- 405.96423 180.6
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.