CID 24241

7600-14-8

Structural Information

Molecular Formula

C₂₀H₁₁NO₂

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C5=CC=CC=C5N4

InChI

InChI=1S/C20H11NO2/c22-19-13-6-1-2-7-14(13)20(23)17-15(19)10-9-12-11-5-3-4-8-16(11)21-18(12)17/h1-10,21H

InChIKey

JKKLCMHYJFHIOQ-UHFFFAOYSA-N

Compound name

12H-naphtho[3,2-a]carbazole-5,13-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 297.07898 Da
Monoisotopic Mass: 4.3
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]+	298.08626	165.7
[M+Na]+	320.06820	177.8
[M-H]-	296.07170	171.5
[M+NH4]+	315.11280	185.0
[M+K]+	336.04214	169.7
[M+H-H2O]+	280.07624	157.8
[M+HCOO]-	342.07718	184.0
[M+CH3COO]-	356.09283	177.9
[M+Na-2H]-	318.05365	172.8
[M]+	297.07843	167.0
[M]-	297.07953	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe