CID 72512

9-methoxyellipticine

Structural Information

Molecular Formula

C₁₈H₁₆N₂O

SMILES

CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C

InChI

InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3

InChIKey

BKRMCDAOAQWNTG-UHFFFAOYSA-N

Compound name

9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 38
References: 99
Patents: 276.12625 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]+	277.13353	164.6
[M+Na]+	299.11547	178.2
[M-H]-	275.11897	168.8
[M+NH4]+	294.16007	183.3
[M+K]+	315.08941	171.0
[M+H-H2O]+	259.12351	156.8
[M+HCOO]-	321.12445	185.0
[M+CH3COO]-	335.14010	177.6
[M+Na-2H]-	297.10092	171.8
[M]+	276.12570	170.0
[M]-	276.12680	170.0

Literature stripe

literature stripe

Patent stripe

patents stripe