CID 6435192

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

Structural Information

Molecular Formula
C18H15ClN2O2S
SMILES
CCOC1=CC=CC=C1N2C(=O)/C(=C/C3=CC=CC=C3Cl)/NC2=S
InChI
InChI=1S/C18H15ClN2O2S/c1-2-23-16-10-6-5-9-15(16)21-17(22)14(20-18(21)24)11-12-7-3-4-8-13(12)19/h3-11H,2H2,1H3,(H,20,24)/b14-11-
InChIKey
KMUFEYRYENCSIO-KAMYIIQDSA-N
Compound name
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-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]+ 359.06158 183.4
[M+Na]+ 381.04352 193.5
[M-H]- 357.04702 189.8
[M+NH4]+ 376.08812 196.4
[M+K]+ 397.01746 184.6
[M+H-H2O]+ 341.05156 175.6
[M+HCOO]- 403.05250 193.0
[M+CH3COO]- 417.06815 193.5
[M+Na-2H]- 379.02897 179.7
[M]+ 358.05375 185.5
[M]- 358.05485 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.