CID 50946

5-propoxy-2-sulfamidobenzoic acid methyl ester

Structural Information

Molecular Formula
C11H15NO5S
SMILES
CCCOC1=CC(=C(C=C1)S(=O)(=O)N)C(=O)OC
InChI
InChI=1S/C11H15NO5S/c1-3-6-17-8-4-5-10(18(12,14)15)9(7-8)11(13)16-2/h4-5,7H,3,6H2,1-2H3,(H2,12,14,15)
InChIKey
SBGVZNIQADUCSB-UHFFFAOYSA-N
Compound name
methyl 5-propoxy-2-sulfamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0671 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07438 158.0
[M+Na]+ 296.05632 165.6
[M-H]- 272.05982 161.4
[M+NH4]+ 291.10092 174.2
[M+K]+ 312.03026 163.5
[M+H-H2O]+ 256.06436 151.5
[M+HCOO]- 318.06530 175.8
[M+CH3COO]- 332.08095 196.2
[M+Na-2H]- 294.04177 160.0
[M]+ 273.06655 163.5
[M]- 273.06765 163.5
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.