CID 13158550

Brn 4598500

Structural Information

Molecular Formula
C24H16Cl2N2O4S
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4)O
InChI
InChI=1S/C24H16Cl2N2O4S/c1-32-21-10-14(7-8-20(21)29)9-19-22(30)27(17-5-3-2-4-6-17)24(33)28(23(19)31)18-12-15(25)11-16(26)13-18/h2-13,29H,1H3/b19-9+
InChIKey
KRFSQNSTLJVKED-DJKKODMXSA-N
Compound name
(5E)-1-(3,5-dichlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.02078 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.02806 216.0
[M+Na]+ 521.01000 234.1
[M+NH4]+ 516.05460 222.3
[M+K]+ 536.98394 222.3
[M-H]- 497.01350 222.3
[M+Na-2H]- 518.99545 224.1
[M]+ 498.02023 221.5
[M]- 498.02133 221.5
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.