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

16308
Patents

292.1212 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 167.0
[M+Na]+ 315.110418 174.1
[M-H]- 291.113924 176.2
[M+NH4]+ 310.155023 180.9
[M+K]+ 331.084358 169.1
[M+H-H2O]+ 275.118460 157.7
[M+HCOO]- 337.119401 192.5
[M+CH3COO]- 351.135051 178.6
[M+Na-2H]- 313.095866 172.1
[M]+ 292.12065142 165.5
[M]- 292.12174858 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

literature stripe

Patent stripe

patents stripe