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]+ 274.074376 158.0
[M+Na]+ 296.056318 165.6
[M-H]- 272.059824 161.4
[M+NH4]+ 291.100923 174.2
[M+K]+ 312.030258 163.5
[M+H-H2O]+ 256.064360 151.5
[M+HCOO]- 318.065301 175.8
[M+CH3COO]- 332.080951 196.2
[M+Na-2H]- 294.041766 160.0
[M]+ 273.06655142 163.5
[M]- 273.06764858 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.