CID 342820

Alpha-((9-acridinyloxy)methyl)-4-methyl-1-piperazineethanol

Structural Information

Molecular Formula

C₂₁H₂₅N₃O₂

SMILES

CN1CCN(CC1)CC(COC2=C3C=CC=CC3=NC4=CC=CC=C42)O

InChI

InChI=1S/C21H25N3O2/c1-23-10-12-24(13-11-23)14-16(25)15-26-21-17-6-2-4-8-19(17)22-20-9-5-3-7-18(20)21/h2-9,16,25H,10-15H2,1H3

InChIKey

WDRFSSXMFZWUNJ-UHFFFAOYSA-N

Compound name

1-acridin-9-yloxy-3-(4-methylpiperazin-1-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.19467 Da
Monoisotopic Mass: 2.7
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]+	352.201946	185.9
[M+Na]+	374.183888	191.5
[M-H]-	350.187394	187.7
[M+NH4]+	369.228493	195.3
[M+K]+	390.157828	185.1
[M+H-H2O]+	334.191930	174.1
[M+HCOO]-	396.192871	197.8
[M+CH3COO]-	410.208521	193.4
[M+Na-2H]-	372.169336	190.5
[M]+	351.19412142	184.5
[M]-	351.19521858	184.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.