CID 82193

7758-79-4

Structural Information

Molecular Formula
C9H9N3O3S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=NO2
InChI
InChI=1S/C9H9N3O3S/c10-7-1-3-8(4-2-7)16(13,14)12-9-5-6-11-15-9/h1-6,12H,10H2
InChIKey
CVLLLVDWOLWLPK-UHFFFAOYSA-N
Compound name
4-amino-N-(1,2-oxazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

239.03647 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.043746 148.2
[M+Na]+ 262.025688 157.3
[M-H]- 238.029194 154.9
[M+NH4]+ 257.070293 164.6
[M+K]+ 277.999628 154.9
[M+H-H2O]+ 222.033730 141.3
[M+HCOO]- 284.034671 168.7
[M+CH3COO]- 298.050321 188.8
[M+Na-2H]- 260.011136 154.4
[M]+ 239.03592142 149.9
[M]- 239.03701858 149.9
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

patents stripe