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 149.0
[M+Na]+ 268.02502 157.5
[M-H]- 244.02852 152.8
[M+NH4]+ 263.06962 166.3
[M+K]+ 283.99896 155.8
[M+H-H2O]+ 228.03306 142.9
[M+HCOO]- 290.03400 167.5
[M+CH3COO]- 304.04965 190.2
[M+Na-2H]- 266.01047 152.0
[M]+ 245.03525 153.8
[M]- 245.03635 153.8
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