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]+ 316.190716 177.1
[M+Na]+ 338.172658 180.7
[M-H]- 314.176164 182.8
[M+NH4]+ 333.217263 190.7
[M+K]+ 354.146598 178.4
[M+H-H2O]+ 298.180700 168.1
[M+HCOO]- 360.181641 199.4
[M+CH3COO]- 374.197291 210.8
[M+Na-2H]- 336.158106 179.6
[M]+ 315.18289142 180.5
[M]- 315.18398858 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.