CID 118280

Brn 2479771

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]+ 344.185616 183.4
[M+Na]+ 366.167558 185.4
[M-H]- 342.171064 186.2
[M+NH4]+ 361.212163 194.1
[M+K]+ 382.141498 181.9
[M+H-H2O]+ 326.175600 174.7
[M+HCOO]- 388.176541 201.6
[M+CH3COO]- 402.192191 211.2
[M+Na-2H]- 364.153006 183.4
[M]+ 343.17779142 183.5
[M]- 343.17888858 183.5
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.