CID 44669168

885269-42-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

383.08273 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.09001 186.5
[M+Na]+ 406.07195 199.7
[M+NH4]+ 401.11655 192.6
[M+K]+ 422.04589 191.8
[M-H]- 382.07545 191.2
[M+Na-2H]- 404.05740 195.9
[M]+ 383.08218 190.1
[M]- 383.08328 190.1
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