CID 24206538

Ethyl 2-(4-formyl-3-phenyl-1h-pyrazol-1-yl)acetate

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CCOC(=O)CN1C=C(C(=N1)C2=CC=CC=C2)C=O
InChI
InChI=1S/C14H14N2O3/c1-2-19-13(18)9-16-8-12(10-17)14(15-16)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3
InChIKey
HEBUXVQLLIKIKA-UHFFFAOYSA-N
Compound name
ethyl 2-(4-formyl-3-phenylpyrazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 158.9
[M+Na]+ 281.08965 171.4
[M+NH4]+ 276.13425 165.1
[M+K]+ 297.06359 167.1
[M-H]- 257.09315 160.2
[M+Na-2H]- 279.07510 165.3
[M]+ 258.09988 160.8
[M]- 258.10098 160.8
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.