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
1
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]+ 240.04375 148.2
[M+Na]+ 262.02569 157.3
[M-H]- 238.02919 154.9
[M+NH4]+ 257.07029 164.6
[M+K]+ 277.99963 154.9
[M+H-H2O]+ 222.03373 141.3
[M+HCOO]- 284.03467 168.7
[M+CH3COO]- 298.05032 188.8
[M+Na-2H]- 260.01114 154.4
[M]+ 239.03592 149.9
[M]- 239.03702 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