CID 10755969

Tjipanazole i

Structural Information

Molecular Formula

C₁₈H₁₁ClN₂

SMILES

C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C3)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C18H11ClN2/c19-10-5-8-16-14(9-10)13-7-6-12-11-3-1-2-4-15(11)20-17(12)18(13)21-16/h1-9,20-21H

InChIKey

FTMOEUBKRZXYEX-UHFFFAOYSA-N

Compound name

3-chloro-11,12-dihydroindolo[2,3-a]carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 290.06107 Da
Monoisotopic Mass: 5.5
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]+	291.06835	163.7
[M+Na]+	313.05029	179.1
[M-H]-	289.05379	167.9
[M+NH4]+	308.09489	184.5
[M+K]+	329.02423	168.7
[M+H-H2O]+	273.05833	157.2
[M+HCOO]-	335.05927	179.9
[M+CH3COO]-	349.07492	176.7
[M+Na-2H]-	311.03574	171.0
[M]+	290.06052	169.0
[M]-	290.06162	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe