CID 3087132

Brn 5969923

Structural Information

Molecular Formula
C12H7N3O2S2
SMILES
C1=CC=C2C(=C1)C=NN2C3=NS(=O)(=O)C4=CSC=C43
InChI
InChI=1S/C12H7N3O2S2/c16-19(17)11-7-18-6-9(11)12(14-19)15-10-4-2-1-3-8(10)5-13-15/h1-7H
InChIKey
WHBGNQSRJZTSNX-UHFFFAOYSA-N
Compound name
3-indazol-1-ylthieno[3,4-d][1,2]thiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.99796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00524 161.1
[M+Na]+ 311.98718 178.4
[M-H]- 287.99068 169.3
[M+NH4]+ 307.03178 184.3
[M+K]+ 327.96112 173.9
[M+H-H2O]+ 271.99522 157.6
[M+HCOO]- 333.99616 177.4
[M+CH3COO]- 348.01181 176.0
[M+Na-2H]- 309.97263 163.0
[M]+ 288.99741 170.6
[M]- 288.99851 170.6
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.