CID 2810532

Oprea1_721939

Structural Information

Molecular Formula

C₂₄H₃₁N₃O₂

SMILES

CC1=CC2=C(C=C1)N(CCC2)C(C)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H31N3O2/c1-18-10-11-21-20(17-18)7-6-12-27(21)19(2)24(28)26-15-13-25(14-16-26)22-8-4-5-9-23(22)29-3/h4-5,8-11,17,19H,6-7,12-16H2,1-3H3

InChIKey

MIAZMQGBPZCQTP-UHFFFAOYSA-N

Compound name

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 393.24164 Da
Monoisotopic Mass: 4.3
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]+	394.248916	200.2
[M+Na]+	416.230858	202.8
[M-H]-	392.234364	204.6
[M+NH4]+	411.275463	207.2
[M+K]+	432.204798	197.2
[M+H-H2O]+	376.238900	187.4
[M+HCOO]-	438.239841	209.1
[M+CH3COO]-	452.255491	206.1
[M+Na-2H]-	414.216306	198.1
[M]+	393.24109142	195.1
[M]-	393.24218858	195.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.