CID 4810

Moxonidine

Structural Information

Molecular Formula

C₉H₁₂ClN₅O

SMILES

CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC

InChI

InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)

InChIKey

WPNJAUFVNXKLIM-UHFFFAOYSA-N

Compound name

4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 600
References: 8707
Patents: 241.07304 Da
Monoisotopic Mass: 0.6
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]+	242.08032	151.1
[M+Na]+	264.06226	163.7
[M+NH4]+	259.10686	157.5
[M+K]+	280.03620	159.8
[M-H]-	240.06576	152.1
[M+Na-2H]-	262.04771	157.4
[M]+	241.07249	153.1
[M]-	241.07359	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe