CID 5272081

Chembl114475

Structural Information

Molecular Formula

C₁₇H₁₄N₄

SMILES

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

InChI

InChI=1S/C17H14N4/c1-21-13-10-6-5-9-12(13)15-16(21)14(17(18)20-19-15)11-7-3-2-4-8-11/h2-10H,1H3,(H2,18,20)

InChIKey

VZYJHHJWTQZOTA-UHFFFAOYSA-N

Compound name

5-methyl-4-phenylpyridazino[4,3-b]indol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 274.12186 Da
Monoisotopic Mass: 2.6
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]+	275.129136	163.8
[M+Na]+	297.111078	175.8
[M-H]-	273.114584	169.2
[M+NH4]+	292.155683	179.6
[M+K]+	313.085018	168.4
[M+H-H2O]+	257.119120	154.1
[M+HCOO]-	319.120061	185.2
[M+CH3COO]-	333.135711	176.0
[M+Na-2H]-	295.096526	170.9
[M]+	274.12131142	165.1
[M]-	274.12240858	165.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.