CID 115917

1,6-bis(4-aminoethylphenoxy)hexane dihydrochloride

Structural Information

Molecular Formula
C22H32N2O2
SMILES
C1=CC(=CC=C1CCN)OCCCCCCOC2=CC=C(C=C2)CCN
InChI
InChI=1S/C22H32N2O2/c23-15-13-19-5-9-21(10-6-19)25-17-3-1-2-4-18-26-22-11-7-20(8-12-22)14-16-24/h5-12H,1-4,13-18,23-24H2
InChIKey
RLSPHJLMBXYZDV-UHFFFAOYSA-N
Compound name
2-[4-[6-[4-(2-aminoethyl)phenoxy]hexoxy]phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

356.24637 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 189.8
[M+Na]+ 379.23559 192.8
[M-H]- 355.23909 194.0
[M+NH4]+ 374.28019 201.3
[M+K]+ 395.20953 187.4
[M+H-H2O]+ 339.24363 180.0
[M+HCOO]- 401.24457 212.6
[M+CH3COO]- 415.26022 221.1
[M+Na-2H]- 377.22104 190.9
[M]+ 356.24582 191.8
[M]- 356.24692 191.8
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

patents stripe