CID 200028

Propiophenone, 3-morpholino-4'-propoxy-, hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CCCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2

InChI

InChI=1S/C16H23NO3/c1-2-11-20-15-5-3-14(4-6-15)16(18)7-8-17-9-12-19-13-10-17/h3-6H,2,7-13H2,1H3

InChIKey

GININFIMLWAZBV-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-1-(4-propoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 277.1678 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.175076	166.8
[M+Na]+	300.157018	170.2
[M-H]-	276.160524	171.2
[M+NH4]+	295.201623	179.5
[M+K]+	316.130958	168.8
[M+H-H2O]+	260.165060	157.7
[M+HCOO]-	322.166001	183.7
[M+CH3COO]-	336.181651	199.0
[M+Na-2H]-	298.142466	169.6
[M]+	277.16725142	166.7
[M]-	277.16834858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe