CID 1903369

Brn 0843519

Structural Information

Molecular Formula
C19H18N2O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OC)/NC2=S
InChI
InChI=1S/C19H18N2O3S/c1-3-24-16-10-6-14(7-11-16)21-18(22)17(20-19(21)25)12-13-4-8-15(23-2)9-5-13/h4-12H,3H2,1-2H3,(H,20,25)/b17-12-
InChIKey
OEWNTZARNCDNEU-ATVHPVEESA-N
Compound name
(5Z)-3-(4-ethoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.10382 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11110 185.2
[M+Na]+ 377.09304 198.2
[M+NH4]+ 372.13764 191.5
[M+K]+ 393.06698 190.5
[M-H]- 353.09654 188.7
[M+Na-2H]- 375.07849 190.9
[M]+ 354.10327 188.3
[M]- 354.10437 188.3
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.