CID 10087661

Tjipanazole d

Structural Information

Molecular Formula

C₁₈H₁₀Cl₂N₂

SMILES

C1=CC2=C(C=C1Cl)C3=C(N2)C4=C(C=C3)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H

InChIKey

NNZIVRYPHRMPQM-UHFFFAOYSA-N

Compound name

3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 9
Patents: 324.0221 Da
Monoisotopic Mass: 6.1
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]+	325.02938	171.6
[M+Na]+	347.01132	188.1
[M-H]-	323.01482	175.2
[M+NH4]+	342.05592	191.6
[M+K]+	362.98526	177.1
[M+H-H2O]+	307.01936	165.5
[M+HCOO]-	369.02030	182.6
[M+CH3COO]-	383.03595	183.9
[M+Na-2H]-	344.99677	177.2
[M]+	324.02155	178.6
[M]-	324.02265	178.6

Literature stripe

literature stripe

Patent stripe

patents stripe