CID 632695

4,4'-(1,1'-biphenyl-4,4'-diyldioxy)dianiline

Structural Information

Molecular Formula
C24H20N2O2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)OC3=CC=C(C=C3)N)OC4=CC=C(C=C4)N
InChI
InChI=1S/C24H20N2O2/c25-19-5-13-23(14-6-19)27-21-9-1-17(2-10-21)18-3-11-22(12-4-18)28-24-15-7-20(26)8-16-24/h1-16H,25-26H2
InChIKey
HYDATEKARGDBKU-UHFFFAOYSA-N
Compound name
4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

15117
Patents

368.15247 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.159746 189.3
[M+Na]+ 391.141688 195.7
[M-H]- 367.145194 201.0
[M+NH4]+ 386.186293 199.5
[M+K]+ 407.115628 189.2
[M+H-H2O]+ 351.149730 178.0
[M+HCOO]- 413.150671 213.5
[M+CH3COO]- 427.166321 199.1
[M+Na-2H]- 389.127136 192.8
[M]+ 368.15192142 187.3
[M]- 368.15301858 187.3
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