CID 115930

Brn 2994760

Structural Information

Molecular Formula
C20H25NO3
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CNCCC2=CC=CC=C2)O
InChI
InChI=1S/C20H25NO3/c1-2-20(23)17-8-10-19(11-9-17)24-15-18(22)14-21-13-12-16-6-4-3-5-7-16/h3-11,18,21-22H,2,12-15H2,1H3
InChIKey
CBEPLVOEOHUBOH-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(2-phenylethylamino)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.190716 180.4
[M+Na]+ 350.172658 183.4
[M-H]- 326.176164 184.5
[M+NH4]+ 345.217263 192.7
[M+K]+ 366.146598 179.4
[M+H-H2O]+ 310.180700 171.5
[M+HCOO]- 372.181641 201.0
[M+CH3COO]- 386.197291 210.5
[M+Na-2H]- 348.158106 182.0
[M]+ 327.18289142 181.6
[M]- 327.18398858 181.6
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.