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

11
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 156.7
[M+Na]+ 289.04629 170.9
[M+NH4]+ 284.09089 162.8
[M+K]+ 305.02023 166.8
[M-H]- 265.04979 157.3
[M+Na-2H]- 287.03174 163.4
[M]+ 266.05652 159.0
[M]- 266.05762 159.0
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