CID 3060192

Brn 5350868

Structural Information

Molecular Formula
C14H15N3O4S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN3C(=O)CSC3=N2)OC
InChI
InChI=1S/C14H15N3O4S/c1-4-21-12-9(19-2)5-8(6-10(12)20-3)13-15-14-17(16-13)11(18)7-22-14/h5-6H,4,7H2,1-3H3
InChIKey
MZGQIWPVDHPDSL-UHFFFAOYSA-N
Compound name
2-(4-ethoxy-3,5-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.07834 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08562 174.1
[M+Na]+ 344.06756 185.8
[M+NH4]+ 339.11216 180.6
[M+K]+ 360.04150 182.1
[M-H]- 320.07106 175.2
[M+Na-2H]- 342.05301 177.3
[M]+ 321.07779 176.4
[M]- 321.07889 176.4
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.