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]+ 232.108046 150.0
[M+Na]+ 254.089988 159.5
[M-H]- 230.093494 154.6
[M+NH4]+ 249.134593 166.7
[M+K]+ 270.063928 155.9
[M+H-H2O]+ 214.098030 141.8
[M+HCOO]- 276.098971 173.5
[M+CH3COO]- 290.114621 192.4
[M+Na-2H]- 252.075436 152.7
[M]+ 231.10022142 150.5
[M]- 231.10131858 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.