CID 4456866

Ethyl 5-amino-1-(4-methoxyphenyl)-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC)N
InChI
InChI=1S/C13H15N3O3/c1-3-19-13(17)11-8-15-16(12(11)14)9-4-6-10(18-2)7-5-9/h4-8H,3,14H2,1-2H3
InChIKey
BUDSDMNAGPWSFE-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

261.11133 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 158.1
[M+Na]+ 284.10055 166.7
[M-H]- 260.10405 162.6
[M+NH4]+ 279.14515 173.6
[M+K]+ 300.07449 164.2
[M+H-H2O]+ 244.10859 149.5
[M+HCOO]- 306.10953 181.3
[M+CH3COO]- 320.12518 197.6
[M+Na-2H]- 282.08600 160.4
[M]+ 261.11078 161.0
[M]- 261.11188 161.0
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