CID 83122

1,3-dimethoxy-10-methyl-9(10h)-acridinone

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

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

InChI

InChI=1S/C16H15NO3/c1-17-12-7-5-4-6-11(12)16(18)15-13(17)8-10(19-2)9-14(15)20-3/h4-9H,1-3H3

InChIKey

WNNQYTLUXXDDQL-UHFFFAOYSA-N

Compound name

1,3-dimethoxy-10-methylacridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 11
Patents: 269.1052 Da
Monoisotopic Mass: 3.1
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]+	270.11248	158.4
[M+Na]+	292.09442	171.1
[M-H]-	268.09792	164.0
[M+NH4]+	287.13902	176.5
[M+K]+	308.06836	167.0
[M+H-H2O]+	252.10246	150.5
[M+HCOO]-	314.10340	180.9
[M+CH3COO]-	328.11905	201.3
[M+Na-2H]-	290.07987	166.6
[M]+	269.10465	165.6
[M]-	269.10575	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe