CID 13526631

Brn 5653735

Structural Information

Molecular Formula

C₂₄H₂₆N₄O₃

SMILES

COCCN(CCOC)C1=NC2=CC(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H26N4O3/c1-29-14-12-28(13-15-30-2)24-20-7-5-4-6-19(20)23-22(25-24)16-21(26-27-23)17-8-10-18(31-3)11-9-17/h4-11,16H,12-15H2,1-3H3

InChIKey

XZIYWYQOINHZRE-UHFFFAOYSA-N

Compound name

N,N-bis(2-methoxyethyl)-3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 418.2005 Da
Monoisotopic Mass: 3.2
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]+	419.207776	204.0
[M+Na]+	441.189718	211.7
[M-H]-	417.193224	209.4
[M+NH4]+	436.234323	212.0
[M+K]+	457.163658	206.6
[M+H-H2O]+	401.197760	190.6
[M+HCOO]-	463.198701	223.1
[M+CH3COO]-	477.214351	212.5
[M+Na-2H]-	439.175166	210.8
[M]+	418.19995142	212.3
[M]-	418.20104858	212.3

Literature stripe

literature stripe

Patent stripe

patents stripe