CID 255553

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

Structural Information

Molecular Formula
C5H5Cl2N3
SMILES
CNC1=CN=C(N=C1Cl)Cl
InChI
InChI=1S/C5H5Cl2N3/c1-8-3-2-9-5(7)10-4(3)6/h2,8H,1H3
InChIKey
FOHHFPFNTZZRLP-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-methylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

176.98605 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.993326 130.2
[M+Na]+ 199.975268 141.2
[M-H]- 175.978774 130.8
[M+NH4]+ 195.019873 149.0
[M+K]+ 215.949208 136.7
[M+H-H2O]+ 159.983310 124.6
[M+HCOO]- 221.984251 144.5
[M+CH3COO]- 235.999901 180.4
[M+Na-2H]- 197.960716 138.1
[M]+ 176.98550142 132.2
[M]- 176.98659858 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