CID 101253

Melicopicine

Structural Information

Molecular Formula

C₁₈H₁₉NO₅

SMILES

CN1C2=CC=CC=C2C(=O)C3=C1C(=C(C(=C3OC)OC)OC)OC

InChI

InChI=1S/C18H19NO5/c1-19-11-9-7-6-8-10(11)14(20)12-13(19)16(22-3)18(24-5)17(23-4)15(12)21-2/h6-9H,1-5H3

InChIKey

URPVDDXMEZAEJY-UHFFFAOYSA-N

Compound name

1,2,3,4-tetramethoxy-10-methylacridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 61
Patents: 329.1263 Da
Monoisotopic Mass: 3.0
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]+	330.133576	174.0
[M+Na]+	352.115518	186.9
[M-H]-	328.119024	179.8
[M+NH4]+	347.160123	189.8
[M+K]+	368.089458	184.1
[M+H-H2O]+	312.123560	165.5
[M+HCOO]-	374.124501	195.9
[M+CH3COO]-	388.140151	214.2
[M+Na-2H]-	350.100966	179.7
[M]+	329.12575142	185.5
[M]-	329.12684858	185.5

Literature stripe

literature stripe

Patent stripe

patents stripe