CID 3053483

Benzoic acid, 5-isopropoxy-2-sulfamoyl-, methyl ester

Structural Information

Molecular Formula
C11H15NO5S
SMILES
CC(C)OC1=CC(=C(C=C1)S(=O)(=O)N)C(=O)OC
InChI
InChI=1S/C11H15NO5S/c1-7(2)17-8-4-5-10(18(12,14)15)9(6-8)11(13)16-3/h4-7H,1-3H3,(H2,12,14,15)
InChIKey
MCMSHMSBINGOIU-UHFFFAOYSA-N
Compound name
methyl 5-propan-2-yloxy-2-sulfamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0671 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07438 157.6
[M+Na]+ 296.05632 164.9
[M-H]- 272.05982 161.1
[M+NH4]+ 291.10092 173.7
[M+K]+ 312.03026 163.4
[M+H-H2O]+ 256.06436 151.3
[M+HCOO]- 318.06530 174.4
[M+CH3COO]- 332.08095 197.1
[M+Na-2H]- 294.04177 158.6
[M]+ 273.06655 162.5
[M]- 273.06765 162.5
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.