CID 13585345

2-amino-1,3-benzoxazole-5-sulfonamide

Structural Information

Molecular Formula
C7H7N3O3S
SMILES
C1=CC2=C(C=C1S(=O)(=O)N)N=C(O2)N
InChI
InChI=1S/C7H7N3O3S/c8-7-10-5-3-4(14(9,11)12)1-2-6(5)13-7/h1-3H,(H2,8,10)(H2,9,11,12)
InChIKey
DWZUHKFGGRNZHZ-UHFFFAOYSA-N
Compound name
2-amino-1,3-benzoxazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.02081 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.028086 139.9
[M+Na]+ 236.010028 151.7
[M-H]- 212.013534 144.5
[M+NH4]+ 231.054633 158.7
[M+K]+ 251.983968 149.2
[M+H-H2O]+ 196.018070 134.4
[M+HCOO]- 258.019011 160.1
[M+CH3COO]- 272.034661 185.0
[M+Na-2H]- 233.995476 147.0
[M]+ 213.02026142 143.2
[M]- 213.02135858 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe