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
7
Annotation Hits

602
References

8873
Patents

241.07304 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08032 152.4
[M+Na]+ 264.06226 162.1
[M-H]- 240.06576 152.8
[M+NH4]+ 259.10686 166.4
[M+K]+ 280.03620 157.1
[M+H-H2O]+ 224.07030 143.1
[M+HCOO]- 286.07124 167.3
[M+CH3COO]- 300.08689 163.5
[M+Na-2H]- 262.04771 156.5
[M]+ 241.07249 152.7
[M]- 241.07359 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe