CID 2186161

606955-36-6

Structural Information

Molecular Formula
C15H13N3O4S
SMILES
CC1=NN2C(=O)/C(=C/C3=C(C=CC(=C3)OC)OC)/SC2=NC1=O
InChI
InChI=1S/C15H13N3O4S/c1-8-13(19)16-15-18(17-8)14(20)12(23-15)7-9-6-10(21-2)4-5-11(9)22-3/h4-7H,1-3H3/b12-7-
InChIKey
KQMPANQZCSDQIP-GHXNOFRVSA-N
Compound name
(2Z)-2-[(2,5-dimethoxyphenyl)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

331.06268 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.069956 173.6
[M+Na]+ 354.051898 188.2
[M-H]- 330.055404 179.7
[M+NH4]+ 349.096503 187.9
[M+K]+ 370.025838 182.6
[M+H-H2O]+ 314.059940 165.7
[M+HCOO]- 376.060881 192.0
[M+CH3COO]- 390.076531 206.7
[M+Na-2H]- 352.037346 175.3
[M]+ 331.06213142 183.7
[M]- 331.06322858 183.7
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.