CID 52915458

6-(4-aminophenoxy)-[1,1'-biphenyl]-3-amine

Structural Information

Molecular Formula
C18H16N2O
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)N)OC3=CC=C(C=C3)N
InChI
InChI=1S/C18H16N2O/c19-14-6-9-16(10-7-14)21-18-11-8-15(20)12-17(18)13-4-2-1-3-5-13/h1-12H,19-20H2
InChIKey
MXVHUTKGCQIBCD-UHFFFAOYSA-N
Compound name
4-(4-aminophenoxy)-3-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

276.12625 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 166.2
[M+Na]+ 299.11547 181.8
[M+NH4]+ 294.16007 175.5
[M+K]+ 315.08941 172.8
[M-H]- 275.11897 174.9
[M+Na-2H]- 297.10092 178.2
[M]+ 276.12570 171.0
[M]- 276.12680 171.0
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

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