CID 44669193

885269-91-0

Structural Information

Molecular Formula
C20H17NO5S
SMILES
COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C20H17NO5S/c1-26-18-9-5-14(6-10-18)15-7-11-19(12-8-15)27(24,25)21-17-4-2-3-16(13-17)20(22)23/h2-13,21H,1H3,(H,22,23)
InChIKey
ZBKATECYZDJGSI-UHFFFAOYSA-N
Compound name
3-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

383.08273 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.09001 187.2
[M+Na]+ 406.07195 193.9
[M-H]- 382.07545 195.8
[M+NH4]+ 401.11655 197.5
[M+K]+ 422.04589 188.9
[M+H-H2O]+ 366.07999 178.2
[M+HCOO]- 428.08093 204.1
[M+CH3COO]- 442.09658 215.4
[M+Na-2H]- 404.05740 190.4
[M]+ 383.08218 190.3
[M]- 383.08328 190.3
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