CID 50944

5-methoxy-2-sulfamidobenzoic acid methyl ester

Structural Information

Molecular Formula
C9H11NO5S
SMILES
COC1=CC(=C(C=C1)S(=O)(=O)N)C(=O)OC
InChI
InChI=1S/C9H11NO5S/c1-14-6-3-4-8(16(10,12)13)7(5-6)9(11)15-2/h3-5H,1-2H3,(H2,10,12,13)
InChIKey
XGLLPFHACOWJFC-UHFFFAOYSA-N
Compound name
methyl 5-methoxy-2-sulfamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

245.0358 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04308 151.3
[M+Na]+ 268.02502 160.7
[M+NH4]+ 263.06962 157.0
[M+K]+ 283.99896 156.0
[M-H]- 244.02852 150.7
[M+Na-2H]- 266.01047 154.9
[M]+ 245.03525 152.6
[M]- 245.03635 152.6
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