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 178.0
[M+Na]+ 368.06756 192.1
[M-H]- 344.07106 183.9
[M+NH4]+ 363.11216 191.7
[M+K]+ 384.04150 186.3
[M+H-H2O]+ 328.07560 169.9
[M+HCOO]- 390.07654 196.0
[M+CH3COO]- 404.09219 209.6
[M+Na-2H]- 366.05301 179.2
[M]+ 345.07779 188.4
[M]- 345.07889 188.4
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.