CID 46201

3'-((2-hydroxy-3-phenethylamino)propoxy)acetophenone hydrochloride

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC(=O)C1=CC(=CC=C1)OCC(CNCCC2=CC=CC=C2)O
InChI
InChI=1S/C19H23NO3/c1-15(21)17-8-5-9-19(12-17)23-14-18(22)13-20-11-10-16-6-3-2-4-7-16/h2-9,12,18,20,22H,10-11,13-14H2,1H3
InChIKey
DNTJGRQVJFVVDA-UHFFFAOYSA-N
Compound name
1-[3-[2-hydroxy-3-(2-phenylethylamino)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 175.9
[M+Na]+ 336.15702 179.3
[M-H]- 312.16052 180.2
[M+NH4]+ 331.20162 188.7
[M+K]+ 352.13096 175.5
[M+H-H2O]+ 296.16506 167.2
[M+HCOO]- 358.16600 196.8
[M+CH3COO]- 372.18165 207.6
[M+Na-2H]- 334.14247 178.0
[M]+ 313.16725 176.7
[M]- 313.16835 176.7
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.