CID 4962386

3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C11H10N2O5S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C11H10N2O5S/c1-7-5-10(12-18-7)13-19(16,17)9-4-2-3-8(6-9)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
XETUPPRSTFARBA-UHFFFAOYSA-N
Compound name
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.03104 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03832 159.1
[M+Na]+ 305.02026 167.9
[M-H]- 281.02376 165.0
[M+NH4]+ 300.06486 173.4
[M+K]+ 320.99420 165.9
[M+H-H2O]+ 265.02830 152.6
[M+HCOO]- 327.02924 176.6
[M+CH3COO]- 341.04489 193.7
[M+Na-2H]- 303.00571 162.9
[M]+ 282.03049 163.3
[M]- 282.03159 163.3
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.