CID 3064377

Brn 3396994

Structural Information

Molecular Formula
C19H25NO2
SMILES
C1=CC=C(C=C1)OCC2=CC=C(C=C2)CCCNCCCO
InChI
InChI=1S/C19H25NO2/c21-15-5-14-20-13-4-6-17-9-11-18(12-10-17)16-22-19-7-2-1-3-8-19/h1-3,7-12,20-21H,4-6,13-16H2
InChIKey
HHMBRRJYOKKIDA-UHFFFAOYSA-N
Compound name
3-[3-[4-(phenoxymethyl)phenyl]propylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 174.9
[M+Na]+ 322.17776 187.4
[M+NH4]+ 317.22236 182.7
[M+K]+ 338.15170 178.3
[M-H]- 298.18126 179.6
[M+Na-2H]- 320.16321 183.2
[M]+ 299.18799 178.0
[M]- 299.18909 178.0
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

No patent data available for this compound.