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]+ 322.085616 171.8
[M+Na]+ 344.067558 183.3
[M-H]- 320.071064 177.3
[M+NH4]+ 339.112163 188.1
[M+K]+ 360.041498 180.5
[M+H-H2O]+ 304.075600 164.9
[M+HCOO]- 366.076541 188.5
[M+CH3COO]- 380.092191 205.1
[M+Na-2H]- 342.053006 170.3
[M]+ 321.07779142 181.1
[M]- 321.07888858 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.