CID 6446558

4-imidazolidinone, 5-((2-chlorophenyl)methylene)-3-(4-ethoxyphenyl)-2-thioxo-

Structural Information

Molecular Formula
C18H15ClN2O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3Cl)/NC2=S
InChI
InChI=1S/C18H15ClN2O2S/c1-2-23-14-9-7-13(8-10-14)21-17(22)16(20-18(21)24)11-12-5-3-4-6-15(12)19/h3-11H,2H2,1H3,(H,20,24)/b16-11-
InChIKey
FNJYEQXAYRUCQD-WJDWOHSUSA-N
Compound name
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0543 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.061576 183.4
[M+Na]+ 381.043518 193.5
[M-H]- 357.047024 189.8
[M+NH4]+ 376.088123 196.4
[M+K]+ 397.017458 184.6
[M+H-H2O]+ 341.051560 175.6
[M+HCOO]- 403.052501 193.0
[M+CH3COO]- 417.068151 193.5
[M+Na-2H]- 379.028966 179.7
[M]+ 358.05375142 185.5
[M]- 358.05484858 185.5
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.