CID 341518

Nsc373867

Structural Information

Molecular Formula
C13H9N5O2S
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3S(=O)(=O)N4C2=NN=N4
InChI
InChI=1S/C13H9N5O2S/c19-21(20)12-9-5-4-8-11(12)17(10-6-2-1-3-7-10)13-14-15-16-18(13)21/h1-9H
InChIKey
YDYAHVPBPHBPHJ-UHFFFAOYSA-N
Compound name
10-phenyltetrazolo[1,5-b][1,2,4]benzothiadiazine 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0477 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05498 164.8
[M+Na]+ 322.03692 178.5
[M-H]- 298.04042 168.1
[M+NH4]+ 317.08152 179.6
[M+K]+ 338.01086 172.4
[M+H-H2O]+ 282.04496 155.5
[M+HCOO]- 344.04590 177.9
[M+CH3COO]- 358.06155 176.3
[M+Na-2H]- 320.02237 171.4
[M]+ 299.04715 168.5
[M]- 299.04825 168.5
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.