CID 121657

Benzenamine, 3,3'-[sulfonylbis(4,1-phenyleneoxy)]bis-

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15112
Patents

432.11438 Da
Monoisotopic Mass

4.1
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