CID 71315335

(2e)-dehydro propafenone hydrochloride

Structural Information

Molecular Formula

C₂₁H₂₅NO₃

SMILES

CCCNCC(COC1=CC=CC=C1C(=O)/C=C/C2=CC=CC=C2)O

InChI

InChI=1S/C21H25NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-13,18,22-23H,2,14-16H2,1H3/b13-12+

InChIKey

STGHQQSGJSJCGH-OUKQBFOZSA-N

Compound name

(E)-1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 339.18344 Da
Monoisotopic Mass: 3.5
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]+	340.190716	184.0
[M+Na]+	362.172658	186.9
[M-H]-	338.176164	188.0
[M+NH4]+	357.217263	195.8
[M+K]+	378.146598	182.1
[M+H-H2O]+	322.180700	175.1
[M+HCOO]-	384.181641	204.5
[M+CH3COO]-	398.197291	212.1
[M+Na-2H]-	360.158106	185.1
[M]+	339.18289142	184.8
[M]-	339.18398858	184.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe