CID 21185049

102852-92-6

Structural Information

Molecular Formula
C24H21N3O3
SMILES
C1=CC(=CC=C1N)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)N)OC4=CC=C(C=C4)N
InChI
InChI=1S/C24H21N3O3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15H,25-27H2
InChIKey
PAPDRIKTCIYHFI-UHFFFAOYSA-N
Compound name
4-[3,5-bis(4-aminophenoxy)phenoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

576
Patents

399.1583 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 200.5
[M+Na]+ 422.14752 215.8
[M+NH4]+ 417.19212 207.9
[M+K]+ 438.12146 206.9
[M-H]- 398.15102 210.9
[M+Na-2H]- 420.13297 212.3
[M]+ 399.15775 205.7
[M]- 399.15885 205.7
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