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]+ 330.090676 174.8
[M+Na]+ 352.072618 188.5
[M-H]- 328.076124 180.4
[M+NH4]+ 347.117223 189.1
[M+K]+ 368.046558 182.0
[M+H-H2O]+ 312.080660 166.6
[M+HCOO]- 374.081601 192.8
[M+CH3COO]- 388.097251 187.2
[M+Na-2H]- 350.058066 176.5
[M]+ 329.08285142 183.5
[M]- 329.08394858 183.5
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.