CID 25689

Benzenamine, 4,4'-[sulfonylbis(4,1-phenyleneoxy)]bis-

Structural Information

Molecular Formula
C24H20N2O4S
SMILES
C1=CC(=CC=C1N)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)N
InChI
InChI=1S/C24H20N2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H,25-26H2
InChIKey
UTDAGHZGKXPRQI-UHFFFAOYSA-N
Compound name
4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

17737
Patents

432.11438 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12166 202.1
[M+Na]+ 455.10360 209.0
[M-H]- 431.10710 213.9
[M+NH4]+ 450.14820 210.1
[M+K]+ 471.07754 202.6
[M+H-H2O]+ 415.11164 191.3
[M+HCOO]- 477.11258 220.7
[M+CH3COO]- 491.12823 211.0
[M+Na-2H]- 453.08905 205.3
[M]+ 432.11383 203.2
[M]- 432.11493 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe