CID 118391

Ethyl 2-methoxy-5-sulfamoylbenzoate

Structural Information

Molecular Formula
C10H13NO5S
SMILES
CCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC
InChI
InChI=1S/C10H13NO5S/c1-3-16-10(12)8-6-7(17(11,13)14)4-5-9(8)15-2/h4-6H,3H2,1-2H3,(H2,11,13,14)
InChIKey
ZQSFLXDMGBSJKV-UHFFFAOYSA-N
Compound name
ethyl 2-methoxy-5-sulfamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

259.05145 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05873 155.5
[M+Na]+ 282.04067 164.7
[M+NH4]+ 277.08527 161.0
[M+K]+ 298.01461 159.8
[M-H]- 258.04417 154.9
[M+Na-2H]- 280.02612 158.9
[M]+ 259.05090 156.8
[M]- 259.05200 156.8
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

patents stripe