CID 154699680

Ns00117425

Structural Information

Molecular Formula

C₁₈H₁₃NO₂

SMILES

CC1=C2C(=C(C3=CC=CC=C3C2=NC4=CC=CC=C14)O)O

InChI

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

InChIKey

INGRZFICWPSFBH-UHFFFAOYSA-N

Compound name

7-methylbenzo[c]acridine-5,6-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 275.09464 Da
Monoisotopic Mass: 4.4
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	161.4
[M+Na]+	298.083858	173.4
[M-H]-	274.087364	165.1
[M+NH4]+	293.128463	178.6
[M+K]+	314.057798	166.5
[M+H-H2O]+	258.091900	153.5
[M+HCOO]-	320.092841	179.4
[M+CH3COO]-	334.108491	173.5
[M+Na-2H]-	296.069306	170.6
[M]+	275.09409142	163.6
[M]-	275.09518858	163.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.