CID 40458683

4-chloro-6-(3,5-dimethyl-1h-pyrazol-1-yl)pyrimidine

Structural Information

Molecular Formula
C9H9ClN4
SMILES
CC1=CC(=NN1C2=CC(=NC=N2)Cl)C
InChI
InChI=1S/C9H9ClN4/c1-6-3-7(2)14(13-6)9-4-8(10)11-5-12-9/h3-5H,1-2H3
InChIKey
OPJLBGHHFRSYPN-UHFFFAOYSA-N
Compound name
4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

208.05157 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.058846 142.9
[M+Na]+ 231.040788 155.1
[M-H]- 207.044294 144.9
[M+NH4]+ 226.085393 159.4
[M+K]+ 247.014728 150.2
[M+H-H2O]+ 191.048830 133.8
[M+HCOO]- 253.049771 159.4
[M+CH3COO]- 267.065421 156.0
[M+Na-2H]- 229.026236 147.9
[M]+ 208.05102142 145.8
[M]- 208.05211858 145.8
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