CID 1554843

463366-91-8

Structural Information

Molecular Formula
C21H17N3O5S
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2
InChI
InChI=1S/C21H17N3O5S/c1-27-14-9-12(10-15(28-2)18(14)29-3)11-16-20(26)24-21(30-16)22-19(25)17(23-24)13-7-5-4-6-8-13/h4-11H,1-3H3/b16-11+
InChIKey
ZWQQAKAUWGJPRG-LFIBNONCSA-N
Compound name
(2E)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[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

423.0889 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09618 200.1
[M+Na]+ 446.07812 217.3
[M+NH4]+ 441.12272 205.8
[M+K]+ 462.05206 209.4
[M-H]- 422.08162 204.3
[M+Na-2H]- 444.06357 207.9
[M]+ 423.08835 204.3
[M]- 423.08945 204.3
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.