CID 154699962

Ns00117926

Structural Information

Molecular Formula

C₁₈H₁₃NO₂

SMILES

CC1=C2C=CC3=C(C(=O)C=CC3=C2NC4=CC=CC=C14)O

InChI

InChI=1S/C18H13NO2/c1-10-11-4-2-3-5-15(11)19-17-12(10)6-7-14-13(17)8-9-16(20)18(14)21/h2-9,19,21H,1H3

InChIKey

OCXJWMXGCPYLHE-UHFFFAOYSA-N

Compound name

4-hydroxy-7-methyl-12H-benzo[c]acridin-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 275.09464 Da
Monoisotopic Mass: 2.3
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]+	276.101916	160.6
[M+Na]+	298.083858	172.9
[M-H]-	274.087364	164.3
[M+NH4]+	293.128463	177.8
[M+K]+	314.057798	165.4
[M+H-H2O]+	258.091900	152.8
[M+HCOO]-	320.092841	178.8
[M+CH3COO]-	334.108491	172.8
[M+Na-2H]-	296.069306	169.8
[M]+	275.09409142	162.2
[M]-	275.09518858	162.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.