CID 71258

Moxiraprine

Structural Information

Molecular Formula

C₁₇H₂₂N₄O₂

SMILES

CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H22N4O2/c1-13-12-16(14-2-4-15(22)5-3-14)19-20-17(13)18-6-7-21-8-10-23-11-9-21/h2-5,12,22H,6-11H2,1H3,(H,18,20)

InChIKey

ADRHYFBXMFKHDO-UHFFFAOYSA-N

Compound name

4-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 250
Patents: 314.1743 Da
Monoisotopic Mass: 1.7
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]+	315.18158	177.2
[M+Na]+	337.16352	182.2
[M-H]-	313.16702	181.3
[M+NH4]+	332.20812	184.6
[M+K]+	353.13746	177.8
[M+H-H2O]+	297.17156	165.5
[M+HCOO]-	359.17250	192.4
[M+CH3COO]-	373.18815	185.6
[M+Na-2H]-	335.14897	181.5
[M]+	314.17375	173.8
[M]-	314.17485	173.8

Literature stripe

literature stripe

Patent stripe

patents stripe