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

6
Patents

266.05707 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06435 156.3
[M+Na]+ 289.04629 167.4
[M-H]- 265.04979 158.4
[M+NH4]+ 284.09089 170.2
[M+K]+ 305.02023 163.1
[M+H-H2O]+ 249.05433 146.9
[M+HCOO]- 311.05527 171.9
[M+CH3COO]- 325.07092 194.6
[M+Na-2H]- 287.03174 159.3
[M]+ 266.05652 161.4
[M]- 266.05762 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