CID 209609

20041-45-6

Structural Information

Molecular Formula
C19H25NO2
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CC2=CC=CC=C2)O
InChI
InChI=1S/C19H25NO2/c1-15(2)20-13-18(21)14-22-19-10-8-17(9-11-19)12-16-6-4-3-5-7-16/h3-11,15,18,20-21H,12-14H2,1-2H3
InChIKey
NWBQNICTAJWDAA-UHFFFAOYSA-N
Compound name
1-(4-benzylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.195816 174.0
[M+Na]+ 322.177758 177.3
[M-H]- 298.181264 178.4
[M+NH4]+ 317.222363 187.7
[M+K]+ 338.151698 173.5
[M+H-H2O]+ 282.185800 165.6
[M+HCOO]- 344.186741 194.6
[M+CH3COO]- 358.202391 206.3
[M+Na-2H]- 320.163206 176.1
[M]+ 299.18799142 174.2
[M]- 299.18908858 174.2
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.