CID 3068794

83823-26-1

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂

SMILES

CN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2

InChI

InChI=1S/C15H18N2O2/c1-16-6-8-17(9-7-16)15(18)13-10-12-4-2-3-5-14(12)19-11-13/h2-5,10H,6-9,11H2,1H3

InChIKey

WTXNAKJCDLIXOH-UHFFFAOYSA-N

Compound name

2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 258.13684 Da
Monoisotopic Mass: 1.2
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]+	259.144116	160.2
[M+Na]+	281.126058	165.6
[M-H]-	257.129564	164.5
[M+NH4]+	276.170663	173.4
[M+K]+	297.099998	163.1
[M+H-H2O]+	241.134100	150.6
[M+HCOO]-	303.135041	174.2
[M+CH3COO]-	317.150691	170.4
[M+Na-2H]-	279.111506	164.7
[M]+	258.13629142	156.3
[M]-	258.13738858	156.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.