CID 66342

1,3-bis(3-aminophenoxy)benzene

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1=CC(=CC(=C1)OC2=CC(=CC=C2)OC3=CC=CC(=C3)N)N
InChI
InChI=1S/C18H16N2O2/c19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16/h1-12H,19-20H2
InChIKey
DKKYOQYISDAQER-UHFFFAOYSA-N
Compound name
3-[3-(3-aminophenoxy)phenoxy]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16236
Patents

292.1212 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 167.0
[M+Na]+ 315.11042 174.1
[M-H]- 291.11392 176.2
[M+NH4]+ 310.15502 180.9
[M+K]+ 331.08436 169.1
[M+H-H2O]+ 275.11846 157.7
[M+HCOO]- 337.11940 192.5
[M+CH3COO]- 351.13505 178.6
[M+Na-2H]- 313.09587 172.1
[M]+ 292.12065 165.5
[M]- 292.12175 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.