CID 3057152

73972-51-7

Structural Information

Molecular Formula
C19H25NO3
SMILES
CCN(CC)CC(COC1=CC=CC=C1OC2=CC=CC=C2)O
InChI
InChI=1S/C19H25NO3/c1-3-20(4-2)14-16(21)15-22-18-12-8-9-13-19(18)23-17-10-6-5-7-11-17/h5-13,16,21H,3-4,14-15H2,1-2H3
InChIKey
XBKJINLHKCMACG-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-(2-phenoxyphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 177.1
[M+Na]+ 338.17266 180.7
[M-H]- 314.17616 182.8
[M+NH4]+ 333.21726 190.7
[M+K]+ 354.14660 178.4
[M+H-H2O]+ 298.18070 168.1
[M+HCOO]- 360.18164 199.4
[M+CH3COO]- 374.19729 210.8
[M+Na-2H]- 336.15811 179.6
[M]+ 315.18289 180.5
[M]- 315.18399 180.5
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.