CID 18981247

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

Structural Information

Molecular Formula
C5H5Cl2N3
SMILES
CNC1=NC(=NC=C1Cl)Cl
InChI
InChI=1S/C5H5Cl2N3/c1-8-4-3(6)2-9-5(7)10-4/h2H,1H3,(H,8,9,10)
InChIKey
SWKLMNGSJGGHTG-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

176.98605 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.99333 130.2
[M+Na]+ 199.97527 141.2
[M-H]- 175.97877 130.8
[M+NH4]+ 195.01987 149.0
[M+K]+ 215.94921 136.7
[M+H-H2O]+ 159.98331 124.6
[M+HCOO]- 221.98425 144.5
[M+CH3COO]- 235.99990 180.4
[M+Na-2H]- 197.96072 138.1
[M]+ 176.98550 132.2
[M]- 176.98660 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe