CID 3699799

11,12-dimethyldibenzo[a,c]phenazine

Structural Information

Molecular Formula

C₂₂H₁₆N₂

SMILES

CC1=CC2=C(C=C1C)N=C3C4=CC=CC=C4C5=CC=CC=C5C3=N2

InChI

InChI=1S/C22H16N2/c1-13-11-19-20(12-14(13)2)24-22-18-10-6-4-8-16(18)15-7-3-5-9-17(15)21(22)23-19/h3-12H,1-2H3

InChIKey

RYQVGAUFQMMZHI-UHFFFAOYSA-N

Compound name

11,12-dimethylphenanthro[9,10-b]quinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 308.13135 Da
Monoisotopic Mass: 5.0
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]+	309.138626	174.9
[M+Na]+	331.120568	188.1
[M-H]-	307.124074	180.3
[M+NH4]+	326.165173	191.2
[M+K]+	347.094508	179.3
[M+H-H2O]+	291.128610	163.8
[M+HCOO]-	353.129551	193.3
[M+CH3COO]-	367.145201	186.5
[M+Na-2H]-	329.106016	185.8
[M]+	308.13080142	178.9
[M]-	308.13189858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe