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]+ 276.13426 162.7
[M+Na]+ 298.11620 170.8
[M-H]- 274.11970 167.0
[M+NH4]+ 293.16080 177.6
[M+K]+ 314.09014 168.0
[M+H-H2O]+ 258.12424 153.9
[M+HCOO]- 320.12518 185.5
[M+CH3COO]- 334.14083 200.6
[M+Na-2H]- 296.10165 164.4
[M]+ 275.12643 165.9
[M]- 275.12753 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.