CID 157892

83279-66-7

Structural Information

Molecular Formula
C12H11Cl2N3O2
SMILES
CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)Cl)Cl)N
InChI
InChI=1S/C12H11Cl2N3O2/c1-2-19-12(18)8-6-16-17(11(8)15)10-4-3-7(13)5-9(10)14/h3-6H,2,15H2,1H3
InChIKey
XOBRIYKLMQJCBQ-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.02283 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03011 163.9
[M+Na]+ 322.01205 174.9
[M-H]- 298.01555 167.8
[M+NH4]+ 317.05665 179.5
[M+K]+ 337.98599 169.1
[M+H-H2O]+ 282.02009 156.7
[M+HCOO]- 344.02103 177.2
[M+CH3COO]- 358.03668 201.8
[M+Na-2H]- 319.99750 164.5
[M]+ 299.02228 168.4
[M]- 299.02338 168.4
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