CID 2060682

606956-72-3

Structural Information

Molecular Formula
C19H13N3O2S2
SMILES
CSC1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2
InChI
InChI=1S/C19H13N3O2S2/c1-25-14-9-7-12(8-10-14)11-15-18(24)22-19(26-15)20-17(23)16(21-22)13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
InChIKey
AWBJWGQWFDDMIO-RVDMUPIBSA-N
Compound name
(2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.04492 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.05220 186.6
[M+Na]+ 402.03414 201.1
[M-H]- 378.03764 195.0
[M+NH4]+ 397.07874 198.9
[M+K]+ 418.00808 191.7
[M+H-H2O]+ 362.04218 178.6
[M+HCOO]- 424.04312 199.8
[M+CH3COO]- 438.05877 197.9
[M+Na-2H]- 400.01959 187.5
[M]+ 379.04437 193.2
[M]- 379.04547 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.