CID 3070702

86819-15-0

Structural Information

Molecular Formula
C19H25NO2
SMILES
CN(C)CC(COC1=CC=CC=C1CCC2=CC=CC=C2)O
InChI
InChI=1S/C19H25NO2/c1-20(2)14-18(21)15-22-19-11-7-6-10-17(19)13-12-16-8-4-3-5-9-16/h3-11,18,21H,12-15H2,1-2H3
InChIKey
QXHABUAVMNCRKP-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

299.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 174.1
[M+Na]+ 322.17776 177.8
[M-H]- 298.18126 179.8
[M+NH4]+ 317.22236 188.4
[M+K]+ 338.15170 174.8
[M+H-H2O]+ 282.18580 165.3
[M+HCOO]- 344.18674 196.1
[M+CH3COO]- 358.20239 208.7
[M+Na-2H]- 320.16321 176.5
[M]+ 299.18799 176.1
[M]- 299.18909 176.1
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