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 153.5
[M+Na]+ 282.04067 161.6
[M-H]- 258.04417 157.1
[M+NH4]+ 277.08527 170.3
[M+K]+ 298.01461 159.6
[M+H-H2O]+ 242.04871 147.2
[M+HCOO]- 304.04965 171.7
[M+CH3COO]- 318.06530 193.2
[M+Na-2H]- 280.02612 156.0
[M]+ 259.05090 158.6
[M]- 259.05200 158.6
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