CID 19839370

Ethyl 5-amino-1-(5-chloro-2-pyridinyl)-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C11H11ClN4O2
SMILES
CCOC(=O)C1=C(N(N=C1)C2=NC=C(C=C2)Cl)N
InChI
InChI=1S/C11H11ClN4O2/c1-2-18-11(17)8-6-15-16(10(8)13)9-4-3-7(12)5-14-9/h3-6H,2,13H2,1H3
InChIKey
RJRFWQPKYSBYGG-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-(5-chloropyridin-2-yl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

266.05707 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06435 157.0
[M+Na]+ 289.04629 167.3
[M-H]- 265.04979 160.1
[M+NH4]+ 284.09089 171.8
[M+K]+ 305.02023 162.7
[M+H-H2O]+ 249.05433 148.3
[M+HCOO]- 311.05527 174.5
[M+CH3COO]- 325.07092 196.0
[M+Na-2H]- 287.03174 159.7
[M]+ 266.05652 160.1
[M]- 266.05762 160.1
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