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]+ 328.19072 180.4
[M+Na]+ 350.17266 183.4
[M-H]- 326.17616 184.5
[M+NH4]+ 345.21726 192.7
[M+K]+ 366.14660 179.4
[M+H-H2O]+ 310.18070 171.5
[M+HCOO]- 372.18164 201.0
[M+CH3COO]- 386.19729 210.5
[M+Na-2H]- 348.15811 182.0
[M]+ 327.18289 181.6
[M]- 327.18399 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.