CID 58228

3,4-dihydro-1-(2-(methylphenethylamino)propyl)carbostyril oxalate

Structural Information

Molecular Formula

C₂₁H₂₆N₂O

SMILES

CC(CN1C(=O)CCC2=CC=CC=C21)N(C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O/c1-17(22(2)15-14-18-8-4-3-5-9-18)16-23-20-11-7-6-10-19(20)12-13-21(23)24/h3-11,17H,12-16H2,1-2H3

InChIKey

NHRRUIHZWMCPIA-UHFFFAOYSA-N

Compound name

1-[2-[methyl(2-phenylethyl)amino]propyl]-3,4-dihydroquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.2045 Da
Monoisotopic Mass: 3.7
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]+	323.211776	179.7
[M+Na]+	345.193718	183.4
[M-H]-	321.197224	185.7
[M+NH4]+	340.238323	193.3
[M+K]+	361.167658	179.2
[M+H-H2O]+	305.201760	169.6
[M+HCOO]-	367.202701	198.0
[M+CH3COO]-	381.218351	216.5
[M+Na-2H]-	343.179166	182.2
[M]+	322.20395142	178.8
[M]-	322.20504858	178.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.