CID 77917

11-demethylellipticine

Structural Information

Molecular Formula

C₁₆H₁₂N₂

SMILES

CC1=C2C=CN=CC2=CC3=C1NC4=CC=CC=C43

InChI

InChI=1S/C16H12N2/c1-10-12-6-7-17-9-11(12)8-14-13-4-2-3-5-15(13)18-16(10)14/h2-9,18H,1H3

InChIKey

IWBSLSHNIIOYRW-UHFFFAOYSA-N

Compound name

5-methyl-6H-pyrido[4,3-b]carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 11
Patents: 232.10005 Da
Monoisotopic Mass: 4.4
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]+	233.10733	150.5
[M+Na]+	255.08927	169.0
[M+NH4]+	250.13387	161.3
[M+K]+	271.06321	160.8
[M-H]-	231.09277	154.8
[M+Na-2H]-	253.07472	159.4
[M]+	232.09950	154.7
[M]-	232.10060	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe