CID 13526624

Brn 5581964

Structural Information

Molecular Formula

C₁₉H₁₆N₄

SMILES

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

InChI

InChI=1S/C19H16N4/c1-23(2)19-15-11-7-6-10-14(15)18-17(20-19)12-16(21-22-18)13-8-4-3-5-9-13/h3-12H,1-2H3

InChIKey

PCRNSUWZKHSAPE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 300.13748 Da
Monoisotopic Mass: 3.6
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]+	301.14476	171.7
[M+Na]+	323.12670	181.8
[M-H]-	299.13020	177.7
[M+NH4]+	318.17130	184.8
[M+K]+	339.10064	175.3
[M+H-H2O]+	283.13474	160.0
[M+HCOO]-	345.13568	192.3
[M+CH3COO]-	359.15133	182.9
[M+Na-2H]-	321.11215	181.9
[M]+	300.13693	174.1
[M]-	300.13803	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe