CID 5066467

133954-33-3

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CCN1C(=CC(=O)N1C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C12H13N3O2/c1-2-14-10(12(13)17)8-11(16)15(14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,17)
InChIKey
FZRRHPGGMLYBOI-UHFFFAOYSA-N
Compound name
2-ethyl-5-oxo-1-phenylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 150.0
[M+Na]+ 254.08999 159.5
[M-H]- 230.09349 154.6
[M+NH4]+ 249.13459 166.7
[M+K]+ 270.06393 155.9
[M+H-H2O]+ 214.09803 141.8
[M+HCOO]- 276.09897 173.5
[M+CH3COO]- 290.11462 192.4
[M+Na-2H]- 252.07544 152.7
[M]+ 231.10022 150.5
[M]- 231.10132 150.5
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.