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 171.8
[M+Na]+ 344.06756 183.3
[M-H]- 320.07106 177.3
[M+NH4]+ 339.11216 188.1
[M+K]+ 360.04150 180.5
[M+H-H2O]+ 304.07560 164.9
[M+HCOO]- 366.07654 188.5
[M+CH3COO]- 380.09219 205.1
[M+Na-2H]- 342.05301 170.3
[M]+ 321.07779 181.1
[M]- 321.07889 181.1
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.