CID 6435200

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

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
CCOC1=CC=CC=C1N2C(=O)/C(=C/C3=CC=C(C=C3)C)/NC2=S
InChI
InChI=1S/C19H18N2O2S/c1-3-23-17-7-5-4-6-16(17)21-18(22)15(20-19(21)24)12-14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3,(H,20,24)/b15-12-
InChIKey
XJKHXGWKANRMDH-QINSGFPZSA-N
Compound name
(5Z)-3-(2-ethoxyphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1089 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 180.7
[M+Na]+ 361.09812 189.8
[M-H]- 337.10162 187.1
[M+NH4]+ 356.14272 193.7
[M+K]+ 377.07206 182.1
[M+H-H2O]+ 321.10616 172.4
[M+HCOO]- 383.10710 194.7
[M+CH3COO]- 397.12275 206.8
[M+Na-2H]- 359.08357 177.1
[M]+ 338.10835 181.2
[M]- 338.10945 181.2
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.