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 182.4
[M+Na]+ 384.99395 194.1
[M-H]- 360.99745 188.6
[M+NH4]+ 380.03855 196.0
[M+K]+ 400.96789 184.1
[M+H-H2O]+ 345.00199 175.6
[M+HCOO]- 407.00293 187.0
[M+CH3COO]- 421.01858 192.5
[M+Na-2H]- 382.97940 177.6
[M]+ 362.00418 184.2
[M]- 362.00528 184.2
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.