CID 6519073

606955-28-6

Structural Information

Molecular Formula
C16H15N3O4S
SMILES
CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(=NC(=O)C(=N3)C)S2)OC
InChI
InChI=1S/C16H15N3O4S/c1-4-23-11-6-5-10(7-12(11)22-3)8-13-15(21)19-16(24-13)17-14(20)9(2)18-19/h5-8H,4H2,1-3H3/b13-8-
InChIKey
XESJNGCJJLPWAQ-JYRVWZFOSA-N
Compound name
(2Z)-2-[(4-ethoxy-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

345.07834 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08562 180.4
[M+Na]+ 368.06756 195.9
[M+NH4]+ 363.11216 186.3
[M+K]+ 384.04150 188.8
[M-H]- 344.07106 182.2
[M+Na-2H]- 366.05301 186.0
[M]+ 345.07779 183.6
[M]- 345.07889 183.6
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.