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 183.9
[M+Na]+ 377.09304 192.7
[M-H]- 353.09654 190.3
[M+NH4]+ 372.13764 196.1
[M+K]+ 393.06698 185.6
[M+H-H2O]+ 337.10108 175.4
[M+HCOO]- 399.10202 198.1
[M+CH3COO]- 413.11767 209.0
[M+Na-2H]- 375.07849 180.5
[M]+ 354.10327 185.7
[M]- 354.10437 185.7
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.