CID 2565801

793727-37-4

Structural Information

Molecular Formula
C15H15NO5S
SMILES
COC1=CC=CC=C1S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H15NO5S/c1-21-13-4-2-3-5-14(13)22(19,20)16-10-11-6-8-12(9-7-11)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKey
XSGWWCUMGZFMJR-UHFFFAOYSA-N
Compound name
4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.0671 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.074376 170.1
[M+Na]+ 344.056318 176.9
[M-H]- 320.059824 175.6
[M+NH4]+ 339.100923 183.3
[M+K]+ 360.030258 173.0
[M+H-H2O]+ 304.064360 162.5
[M+HCOO]- 366.065301 187.4
[M+CH3COO]- 380.080951 203.0
[M+Na-2H]- 342.041766 173.7
[M]+ 321.06655142 173.7
[M]- 321.06764858 173.7
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.