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 174.8
[M+Na]+ 352.07262 188.5
[M-H]- 328.07612 180.4
[M+NH4]+ 347.11722 189.1
[M+K]+ 368.04656 182.0
[M+H-H2O]+ 312.08066 166.6
[M+HCOO]- 374.08160 192.8
[M+CH3COO]- 388.09725 187.2
[M+Na-2H]- 350.05807 176.5
[M]+ 329.08285 183.5
[M]- 329.08395 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.