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-chloro-2-pyridinyl)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]+ 267.064346 157.0
[M+Na]+ 289.046288 167.3
[M-H]- 265.049794 160.1
[M+NH4]+ 284.090893 171.8
[M+K]+ 305.020228 162.7
[M+H-H2O]+ 249.054330 148.3
[M+HCOO]- 311.055271 174.5
[M+CH3COO]- 325.070921 196.0
[M+Na-2H]- 287.031736 159.7
[M]+ 266.05652142 160.1
[M]- 266.05761858 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