CID 5680201

5-[(2,3-dichlorophenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C17H12Cl2N2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C(=CC=C3)Cl)Cl)/NC2=S
InChI
InChI=1S/C17H12Cl2N2OS/c1-10-5-7-12(8-6-10)21-16(22)14(20-17(21)23)9-11-3-2-4-13(18)15(11)19/h2-9H,1H3,(H,20,23)/b14-9-
InChIKey
MCMRWUDJBVYIOC-ZROIWOOFSA-N
Compound name
(5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.00473 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.01201 183.7
[M+Na]+ 384.99395 199.7
[M+NH4]+ 380.03855 191.7
[M+K]+ 400.96789 189.8
[M-H]- 360.99745 188.1
[M+Na-2H]- 382.97940 190.3
[M]+ 362.00418 188.3
[M]- 362.00528 188.3
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.