CID 1247990

307506-42-9

Structural Information

Molecular Formula
C20H15N3O4S
SMILES
COC1=CC(=C(C=C1)OC)/C=C/2\C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2
InChI
InChI=1S/C20H15N3O4S/c1-26-14-8-9-15(27-2)13(10-14)11-16-19(25)23-20(28-16)21-18(24)17(22-23)12-6-4-3-5-7-12/h3-11H,1-2H3/b16-11+
InChIKey
LSKVWKUNJKCSLR-LFIBNONCSA-N
Compound name
(2E)-2-[(2,5-dimethoxyphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.07834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08562 191.5
[M+Na]+ 416.06756 209.2
[M+NH4]+ 411.11216 198.0
[M+K]+ 432.04150 200.7
[M-H]- 392.07106 196.2
[M+Na-2H]- 414.05301 200.4
[M]+ 393.07779 196.0
[M]- 393.07889 196.0
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.