CID 51057057

4-me-6-((5-(4-me-1-piperazinyl)-5-oxopentyl)oxy)-2h-chromen-2-one hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₄

SMILES

CC1=CC(=O)OC2=C1C=C(C=C2)OCCCCC(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H26N2O4/c1-15-13-20(24)26-18-7-6-16(14-17(15)18)25-12-4-3-5-19(23)22-10-8-21(2)9-11-22/h6-7,13-14H,3-5,8-12H2,1-2H3

InChIKey

VUXYUIPXCFARAK-UHFFFAOYSA-N

Compound name

4-methyl-6-[5-(4-methylpiperazin-1-yl)-5-oxopentoxy]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 358.18927 Da
Monoisotopic Mass: 1.8
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]+	359.196546	187.4
[M+Na]+	381.178488	193.3
[M-H]-	357.181994	191.9
[M+NH4]+	376.223093	196.8
[M+K]+	397.152428	190.3
[M+H-H2O]+	341.186530	176.8
[M+HCOO]-	403.187471	201.5
[M+CH3COO]-	417.203121	216.0
[M+Na-2H]-	379.163936	188.9
[M]+	358.18872142	189.6
[M]-	358.18981858	189.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.