CID 15415230

Ethyl 1-(6-chloropyridazin-3-yl)-5-methyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C11H11ClN4O2
SMILES
CCOC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)Cl)C
InChI
InChI=1S/C11H11ClN4O2/c1-3-18-11(17)8-6-13-16(7(8)2)10-5-4-9(12)14-15-10/h4-6H,3H2,1-2H3
InChIKey
FRDWRNUOZQIAFR-UHFFFAOYSA-N
Compound name
ethyl 1-(6-chloropyridazin-3-yl)-5-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

266.05707 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.064346 156.3
[M+Na]+ 289.046288 167.4
[M-H]- 265.049794 158.4
[M+NH4]+ 284.090893 170.2
[M+K]+ 305.020228 163.1
[M+H-H2O]+ 249.054330 146.9
[M+HCOO]- 311.055271 171.9
[M+CH3COO]- 325.070921 194.6
[M+Na-2H]- 287.031736 159.3
[M]+ 266.05652142 161.4
[M]- 266.05761858 161.4
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