CID 3060191

Brn 5346380

Structural Information

Molecular Formula
C11H7N3O3S
SMILES
C1C(=O)N2C(=NC(=N2)C3=CC4=C(C=C3)OCO4)S1
InChI
InChI=1S/C11H7N3O3S/c15-9-4-18-11-12-10(13-14(9)11)6-1-2-7-8(3-6)17-5-16-7/h1-3H,4-5H2
InChIKey
ZFZRMVPRNYOLML-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-[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

261.0208 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02808 152.5
[M+Na]+ 284.01002 165.1
[M-H]- 260.01352 160.4
[M+NH4]+ 279.05462 171.2
[M+K]+ 299.98396 164.8
[M+H-H2O]+ 244.01806 148.3
[M+HCOO]- 306.01900 168.1
[M+CH3COO]- 320.03465 166.5
[M+Na-2H]- 281.99547 153.0
[M]+ 261.02025 158.4
[M]- 261.02135 158.4
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.