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]+ 322.07438 170.1
[M+Na]+ 344.05632 176.9
[M-H]- 320.05982 175.6
[M+NH4]+ 339.10092 183.3
[M+K]+ 360.03026 173.0
[M+H-H2O]+ 304.06436 162.5
[M+HCOO]- 366.06530 187.4
[M+CH3COO]- 380.08095 203.0
[M+Na-2H]- 342.04177 173.7
[M]+ 321.06655 173.7
[M]- 321.06765 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.