CID 3064377

102071-85-2

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 172.6
[M+Na]+ 322.17776 176.5
[M-H]- 298.18126 176.7
[M+NH4]+ 317.22236 186.4
[M+K]+ 338.15170 171.5
[M+H-H2O]+ 282.18580 163.9
[M+HCOO]- 344.18674 195.2
[M+CH3COO]- 358.20239 204.5
[M+Na-2H]- 320.16321 177.2
[M]+ 299.18799 174.0
[M]- 299.18909 174.0
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.