CID 5715088

606954-33-0

Structural Information

Molecular Formula
C14H11N3O3S
SMILES
CC1=NN2C(=O)/C(=C/C3=CC(=CC=C3)OC)/SC2=NC1=O
InChI
InChI=1S/C14H11N3O3S/c1-8-12(18)15-14-17(16-8)13(19)11(21-14)7-9-4-3-5-10(6-9)20-2/h3-7H,1-2H3/b11-7-
InChIKey
YJJVBAWIPDBWQY-XFFZJAGNSA-N
Compound name
(2Z)-2-[(3-methoxyphenyl)methylidene]-6-methyl-[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

301.05212 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05940 167.5
[M+Na]+ 324.04134 183.6
[M+NH4]+ 319.08594 174.4
[M+K]+ 340.01528 176.2
[M-H]- 300.04484 169.8
[M+Na-2H]- 322.02679 174.3
[M]+ 301.05157 170.9
[M]- 301.05267 170.9
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.