CID 18401317

4-[4-[4-(4-aminophenyl)sulfonylphenoxy]phenyl]sulfonylaniline

Structural Information

Molecular Formula
C24H20N2O5S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C24H20N2O5S2/c25-17-1-9-21(10-2-17)32(27,28)23-13-5-19(6-14-23)31-20-7-15-24(16-8-20)33(29,30)22-11-3-18(26)4-12-22/h1-16H,25-26H2
InChIKey
CAIMXHCQEIPTCR-UHFFFAOYSA-N
Compound name
4-[4-[4-(4-aminophenyl)sulfonylphenoxy]phenyl]sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

480.08136 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.08864 212.2
[M+Na]+ 503.07058 219.0
[M-H]- 479.07408 222.9
[M+NH4]+ 498.11518 218.1
[M+K]+ 519.04452 211.4
[M+H-H2O]+ 463.07862 202.0
[M+HCOO]- 525.07956 224.4
[M+CH3COO]- 539.09521 234.1
[M+Na-2H]- 501.05603 216.4
[M]+ 480.08081 213.3
[M]- 480.08191 213.3
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