CID 5272085

Chembl332951

Structural Information

Molecular Formula

C₁₇H₁₃ClN₄

SMILES

CN1C2=CC=CC=C2C3=NN=C(C(=C31)C4=CC=CC=C4Cl)N

InChI

InChI=1S/C17H13ClN4/c1-22-13-9-5-3-7-11(13)15-16(22)14(17(19)21-20-15)10-6-2-4-8-12(10)18/h2-9H,1H3,(H2,19,21)

InChIKey

CLJNZAXZLMAWIC-UHFFFAOYSA-N

Compound name

4-(2-chlorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 308.0829 Da
Monoisotopic Mass: 3.3
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]+	309.090176	171.9
[M+Na]+	331.072118	185.4
[M-H]-	307.075624	177.2
[M+NH4]+	326.116723	187.4
[M+K]+	347.046058	176.8
[M+H-H2O]+	291.080160	162.4
[M+HCOO]-	353.081101	188.5
[M+CH3COO]-	367.096751	183.8
[M+Na-2H]-	329.057566	177.5
[M]+	308.08235142	175.8
[M]-	308.08344858	175.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.