CID 80813

6401-98-5

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1C(=NN(C1=O)C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C10H9N3O2/c11-10(15)8-6-9(14)13(12-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,15)
InChIKey
SPFXLCCBWAJCHQ-UHFFFAOYSA-N
Compound name
5-oxo-1-phenyl-4H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

203.06947 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 141.9
[M+Na]+ 226.058688 150.3
[M-H]- 202.062194 146.1
[M+NH4]+ 221.103293 159.3
[M+K]+ 242.032628 147.4
[M+H-H2O]+ 186.066730 133.8
[M+HCOO]- 248.067671 164.6
[M+CH3COO]- 262.083321 185.4
[M+Na-2H]- 224.044136 145.4
[M]+ 203.06892142 139.9
[M]- 203.07001858 139.9
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

patents stripe