CID 2189230

606956-69-8

Structural Information

Molecular Formula
C14H11N3O2S2
SMILES
CC1=NN2C(=O)/C(=C/C3=CC=C(C=C3)SC)/SC2=NC1=O
InChI
InChI=1S/C14H11N3O2S2/c1-8-12(18)15-14-17(16-8)13(19)11(21-14)7-9-3-5-10(20-2)6-4-9/h3-7H,1-2H3/b11-7-
InChIKey
KCEFEUORBWGHRX-XFFZJAGNSA-N
Compound name
(2Z)-6-methyl-2-[(4-methylsulfanylphenyl)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

317.02927 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.03655 170.8
[M+Na]+ 340.01849 186.7
[M+NH4]+ 335.06309 178.5
[M+K]+ 355.99243 176.7
[M-H]- 316.02199 173.9
[M+Na-2H]- 338.00394 177.0
[M]+ 317.02872 175.0
[M]- 317.02982 175.0
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.