CID 13526625

Brn 5596235

Structural Information

Molecular Formula

C₂₀H₁₈N₄

SMILES

CCN(C)C1=NC2=CC(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4/c1-3-24(2)20-16-12-8-7-11-15(16)19-18(21-20)13-17(22-23-19)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3

InChIKey

CXPLOPJUAUESAD-UHFFFAOYSA-N

Compound name

N-ethyl-N-methyl-3-phenylpyridazino[4,3-c]isoquinolin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 314.15314 Da
Monoisotopic Mass: 3.9
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]+	315.160416	176.3
[M+Na]+	337.142358	185.9
[M-H]-	313.145864	182.1
[M+NH4]+	332.186963	188.7
[M+K]+	353.116298	179.1
[M+H-H2O]+	297.150400	164.3
[M+HCOO]-	359.151341	196.5
[M+CH3COO]-	373.166991	186.9
[M+Na-2H]-	335.127806	185.9
[M]+	314.15259142	179.0
[M]-	314.15368858	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe