CID 1979448

609794-94-7

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
CCCOC1=CC=CC=C1/C=C\2/C(=O)N3C(=NC(=O)C(=N3)C)S2
InChI
InChI=1S/C16H15N3O3S/c1-3-8-22-12-7-5-4-6-11(12)9-13-15(21)19-16(23-13)17-14(20)10(2)18-19/h4-7,9H,3,8H2,1-2H3/b13-9-
InChIKey
JADAZGUVGKKKQF-LCYFTJDESA-N
Compound name
(2Z)-6-methyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

329.0834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09068 176.2
[M+Na]+ 352.07262 191.9
[M+NH4]+ 347.11722 182.7
[M+K]+ 368.04656 184.0
[M-H]- 328.07612 178.4
[M+Na-2H]- 350.05807 182.5
[M]+ 329.08285 179.5
[M]- 329.08395 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.