CID 6448523

Brn 5367170

Structural Information

Molecular Formula
C28H21N3O4S2
SMILES
CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC(=C(C=C3)O)OC)/C(=O)N(C2=S)C4=NC(=CS4)C5=CC=CC=C5
InChI
InChI=1S/C28H21N3O4S2/c1-17-8-6-7-11-22(17)30-25(33)20(14-18-12-13-23(32)24(15-18)35-2)26(34)31(28(30)36)27-29-21(16-37-27)19-9-4-3-5-10-19/h3-16,32H,1-2H3/b20-14+
InChIKey
CWHLMGFOKCQXIO-XSFVSMFZSA-N
Compound name
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.09735 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.10463 223.9
[M+Na]+ 550.08657 239.8
[M+NH4]+ 545.13117 229.4
[M+K]+ 566.06051 229.3
[M-H]- 526.09007 231.4
[M+Na-2H]- 548.07202 232.4
[M]+ 527.09680 229.3
[M]- 527.09790 229.3
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.