CID 118280

36115-98-7

Structural Information

Molecular Formula
C20H25NO4
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CNCC(C2=CC=CC=C2)O)O
InChI
InChI=1S/C20H25NO4/c1-2-19(23)16-8-10-18(11-9-16)25-14-17(22)12-21-13-20(24)15-6-4-3-5-7-15/h3-11,17,20-22,24H,2,12-14H2,1H3
InChIKey
VFFZMENAPNQPEI-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 184.2
[M+Na]+ 366.16756 193.9
[M+NH4]+ 361.21216 189.6
[M+K]+ 382.14150 188.5
[M-H]- 342.17106 186.4
[M+Na-2H]- 364.15301 189.6
[M]+ 343.17779 185.9
[M]- 343.17889 185.9
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.