CID 135588744

5,8-dimethyldibenzo[b,j][1,10]phenanthroline-6,7-diol

Structural Information

Molecular Formula

C₂₂H₁₆N₂O₂

SMILES

CC1=C2C(=C(C3=C(C4=CC=CC=C4N=C3C2=NC5=CC=CC=C15)C)O)O

InChI

InChI=1S/C22H16N2O2/c1-11-13-7-3-5-9-15(13)23-19-17(11)21(25)22(26)18-12(2)14-8-4-6-10-16(14)24-20(18)19/h3-10,25-26H,1-2H3

InChIKey

PNWFWWBEUJRIDK-UHFFFAOYSA-N

Compound name

5,8-dimethylquinolino[3,2-c]acridine-6,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 340.1212 Da
Monoisotopic Mass: 4.8
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]+	341.128476	183.0
[M+Na]+	363.110418	196.6
[M-H]-	339.113924	186.7
[M+NH4]+	358.155023	197.0
[M+K]+	379.084358	188.2
[M+H-H2O]+	323.118460	172.8
[M+HCOO]-	385.119401	198.7
[M+CH3COO]-	399.135051	193.6
[M+Na-2H]-	361.095866	191.9
[M]+	340.12065142	187.4
[M]-	340.12174858	187.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe