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]+ 332.06996 173.6
[M+Na]+ 354.05190 188.2
[M-H]- 330.05540 179.7
[M+NH4]+ 349.09650 187.9
[M+K]+ 370.02584 182.6
[M+H-H2O]+ 314.05994 165.7
[M+HCOO]- 376.06088 192.0
[M+CH3COO]- 390.07653 206.7
[M+Na-2H]- 352.03735 175.3
[M]+ 331.06213 183.7
[M]- 331.06323 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.