CID 5415534

62468-54-6

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)C)/NC2=S
InChI
InChI=1S/C19H18N2O2S/c1-3-23-16-10-8-15(9-11-16)21-18(22)17(20-19(21)24)12-14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3,(H,20,24)/b17-12-
InChIKey
SQLTUBITEMCKPB-ATVHPVEESA-N
Compound name
(5Z)-3-(4-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 181.9
[M+Na]+ 361.09812 195.5
[M+NH4]+ 356.14272 188.9
[M+K]+ 377.07206 187.3
[M-H]- 337.10162 185.9
[M+Na-2H]- 359.08357 188.1
[M]+ 338.10835 185.4
[M]- 338.10945 185.4
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.