CID 24820363

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

Structural Information

Molecular Formula
C9H9ClN4
SMILES
CC1=CC(=NN1C2=NC(=NC=C2)Cl)C
InChI
InChI=1S/C9H9ClN4/c1-6-5-7(2)14(13-6)8-3-4-11-9(10)12-8/h3-5H,1-2H3
InChIKey
ZAEUNAXJMQKCCG-UHFFFAOYSA-N
Compound name
2-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

literature stripe

Patent stripe

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