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]+ 226.03932 146.3
[M+Na]+ 248.02126 157.0
[M-H]- 224.02476 147.4
[M+NH4]+ 243.06586 160.2
[M+K]+ 263.99520 152.2
[M+H-H2O]+ 208.02930 138.6
[M+HCOO]- 270.03024 161.7
[M+CH3COO]- 284.04589 181.8
[M+Na-2H]- 246.00671 151.2
[M]+ 225.03149 145.7
[M]- 225.03259 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.