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]+ 209.05885 142.9
[M+Na]+ 231.04079 155.1
[M-H]- 207.04429 144.9
[M+NH4]+ 226.08539 159.4
[M+K]+ 247.01473 150.2
[M+H-H2O]+ 191.04883 133.8
[M+HCOO]- 253.04977 159.4
[M+CH3COO]- 267.06542 156.0
[M+Na-2H]- 229.02624 147.9
[M]+ 208.05102 145.8
[M]- 208.05212 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