CID 46741273

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

Structural Information

Molecular Formula
C14H17N3O3
SMILES
CCOC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)N
InChI
InChI=1S/C14H17N3O3/c1-3-19-11-7-5-10(6-8-11)17-13(15)12(9-16-17)14(18)20-4-2/h5-9H,3-4,15H2,1-2H3
InChIKey
PEOYXLBODVTBTC-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-(4-ethoxyphenyl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.12698 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.134256 162.7
[M+Na]+ 298.116198 170.8
[M-H]- 274.119704 167.0
[M+NH4]+ 293.160803 177.6
[M+K]+ 314.090138 168.0
[M+H-H2O]+ 258.124240 153.9
[M+HCOO]- 320.125181 185.5
[M+CH3COO]- 334.140831 200.6
[M+Na-2H]- 296.101646 164.4
[M]+ 275.12643142 165.9
[M]- 275.12752858 165.9
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

No patent data available for this compound.