CID 199769

4922-97-8

Structural Information

Molecular Formula
C7H7N5O2S
SMILES
C1=CN=CC=C1C2=NNC(=N2)S(=O)(=O)N
InChI
InChI=1S/C7H7N5O2S/c8-15(13,14)7-10-6(11-12-7)5-1-3-9-4-2-5/h1-4H,(H2,8,13,14)(H,10,11,12)
InChIKey
BROAXIWYJUEMSA-UHFFFAOYSA-N
Compound name
3-pyridin-4-yl-1H-1,2,4-triazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.03204 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.039316 146.3
[M+Na]+ 248.021258 157.0
[M-H]- 224.024764 147.4
[M+NH4]+ 243.065863 160.2
[M+K]+ 263.995198 152.2
[M+H-H2O]+ 208.029300 138.6
[M+HCOO]- 270.030241 161.7
[M+CH3COO]- 284.045891 181.8
[M+Na-2H]- 246.006706 151.2
[M]+ 225.03149142 145.7
[M]- 225.03258858 145.7
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.