CID 75887

3,3',4,4'-tetraaminodiphenyl ether

Structural Information

Molecular Formula
C12H14N4O
SMILES
C1=CC(=C(C=C1OC2=CC(=C(C=C2)N)N)N)N
InChI
InChI=1S/C12H14N4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H,13-16H2
InChIKey
RQBIGPMJQUKYAH-UHFFFAOYSA-N
Compound name
4-(3,4-diaminophenoxy)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2083
Patents

230.11676 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12404 150.2
[M+Na]+ 253.10598 158.1
[M-H]- 229.10948 156.2
[M+NH4]+ 248.15058 166.5
[M+K]+ 269.07992 154.0
[M+H-H2O]+ 213.11402 142.5
[M+HCOO]- 275.11496 177.0
[M+CH3COO]- 289.13061 201.1
[M+Na-2H]- 251.09143 153.8
[M]+ 230.11621 145.0
[M]- 230.11731 145.0
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

patents stripe