CID 5494829

1-hydroxy-3-methoxy-10-methyl-4-pentyl-acridin-9-one

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

CCCCCC1=C(C=C(C2=C1N(C3=CC=CC=C3C2=O)C)O)OC

InChI

InChI=1S/C20H23NO3/c1-4-5-6-10-14-17(24-3)12-16(22)18-19(14)21(2)15-11-8-7-9-13(15)20(18)23/h7-9,11-12,22H,4-6,10H2,1-3H3

InChIKey

SQUJODFMWBUUIT-UHFFFAOYSA-N

Compound name

1-hydroxy-3-methoxy-10-methyl-4-pentylacridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 5.7
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]+	326.175076	177.8
[M+Na]+	348.157018	189.1
[M-H]-	324.160524	181.5
[M+NH4]+	343.201623	193.1
[M+K]+	364.130958	183.3
[M+H-H2O]+	308.165060	169.5
[M+HCOO]-	370.166001	197.3
[M+CH3COO]-	384.181651	212.0
[M+Na-2H]-	346.142466	182.5
[M]+	325.16725142	184.9
[M]-	325.16834858	184.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.