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 166.0
[M+Na]+ 324.04134 180.7
[M-H]- 300.04484 172.0
[M+NH4]+ 319.08594 181.5
[M+K]+ 340.01528 174.6
[M+H-H2O]+ 284.04938 158.2
[M+HCOO]- 346.05032 184.7
[M+CH3COO]- 360.06597 179.3
[M+Na-2H]- 322.02679 168.7
[M]+ 301.05157 174.0
[M]- 301.05267 174.0
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.