CID 80434

3,4,4'-triaminodiphenyl ether

Structural Information

Molecular Formula
C12H13N3O
SMILES
C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)N
InChI
InChI=1S/C12H13N3O/c13-8-1-3-9(4-2-8)16-10-5-6-11(14)12(15)7-10/h1-7H,13-15H2
InChIKey
MPKIJEUTPZPJFP-UHFFFAOYSA-N
Compound name
4-(4-aminophenoxy)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

217
Patents

215.10587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 147.5
[M+Na]+ 238.09509 159.8
[M+NH4]+ 233.13969 155.9
[M+K]+ 254.06903 153.5
[M-H]- 214.09859 153.5
[M+Na-2H]- 236.08054 156.1
[M]+ 215.10532 150.8
[M]- 215.10642 150.8
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