CID 736674

39906-04-2

Structural Information

Molecular Formula

C₅H₅Cl₂N₃

SMILES

CC1=NC(=C(C(=N1)Cl)N)Cl

InChI

InChI=1S/C5H5Cl2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H3

InChIKey

FKRXXAMAHOGYNT-UHFFFAOYSA-N

Compound name

4,6-dichloro-2-methylpyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 622
Patents: 176.98605 Da
Monoisotopic Mass: 1.8
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]+	177.99333	130.2
[M+Na]+	199.97527	145.3
[M+NH4]+	195.01987	139.0
[M+K]+	215.94921	138.3
[M-H]-	175.97877	132.1
[M+Na-2H]-	197.96072	137.7
[M]+	176.98550	133.4
[M]-	176.98660	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe