CID 369538

Mls000756808

Structural Information

Molecular Formula

C₁₇H₁₁NO₃

SMILES

COC1=CC2=C(C=C1)NC3=C2C=CC4=C3C(=O)C=CC4=O

InChI

InChI=1S/C17H11NO3/c1-21-9-2-5-13-12(8-9)10-3-4-11-14(19)6-7-15(20)16(11)17(10)18-13/h2-8,18H,1H3

InChIKey

LETGFRZUYFTHIV-UHFFFAOYSA-N

Compound name

8-methoxy-11H-benzo[a]carbazole-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 277.07388 Da
Monoisotopic Mass: 2.9
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]+	278.08116	159.8
[M+Na]+	300.06310	172.0
[M-H]-	276.06660	164.8
[M+NH4]+	295.10770	179.3
[M+K]+	316.03704	165.8
[M+H-H2O]+	260.07114	152.9
[M+HCOO]-	322.07208	179.7
[M+CH3COO]-	336.08773	172.8
[M+Na-2H]-	298.04855	166.1
[M]+	277.07333	163.0
[M]-	277.07443	163.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.