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 168.4
[M+Na]+ 340.01849 183.6
[M-H]- 316.02199 174.1
[M+NH4]+ 335.06309 183.8
[M+K]+ 355.99243 175.7
[M+H-H2O]+ 300.02653 161.8
[M+HCOO]- 362.02747 181.7
[M+CH3COO]- 376.04312 181.0
[M+Na-2H]- 338.00394 169.2
[M]+ 317.02872 176.0
[M]- 317.02982 176.0
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.