CID 3492681

612044-42-5

Structural Information

Molecular Formula
C20H17NO6S
SMILES
COC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C20H17NO6S/c1-26-18-7-2-3-8-19(18)27-16-9-11-17(12-10-16)28(24,25)21-15-6-4-5-14(13-15)20(22)23/h2-13,21H,1H3,(H,22,23)
InChIKey
KQGHUSZNYWFNEM-UHFFFAOYSA-N
Compound name
3-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.07767 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.08495 189.3
[M+Na]+ 422.06689 202.0
[M+NH4]+ 417.11149 194.8
[M+K]+ 438.04083 194.7
[M-H]- 398.07039 193.5
[M+Na-2H]- 420.05234 198.3
[M]+ 399.07712 192.7
[M]- 399.07822 192.7
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.