CID 81401

Bis(beta-(4-aminophenoxy)ethyl) ether

Structural Information

Molecular Formula
C16H20N2O3
SMILES
C1=CC(=CC=C1N)OCCOCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C16H20N2O3/c17-13-1-5-15(6-2-13)20-11-9-19-10-12-21-16-7-3-14(18)4-8-16/h1-8H,9-12,17-18H2
InChIKey
ZPFOBIGQVVIRGT-UHFFFAOYSA-N
Compound name
4-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

118
Patents

288.1474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 165.9
[M+Na]+ 311.13662 171.5
[M-H]- 287.14012 171.4
[M+NH4]+ 306.18122 180.2
[M+K]+ 327.11056 168.1
[M+H-H2O]+ 271.14466 157.1
[M+HCOO]- 333.14560 191.0
[M+CH3COO]- 347.16125 205.3
[M+Na-2H]- 309.12207 170.3
[M]+ 288.14685 167.3
[M]- 288.14795 167.3
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