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
1
Annotation Hits

0
References

33
Patents

203.06947 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 141.9
[M+Na]+ 226.05869 150.3
[M-H]- 202.06219 146.1
[M+NH4]+ 221.10329 159.3
[M+K]+ 242.03263 147.4
[M+H-H2O]+ 186.06673 133.8
[M+HCOO]- 248.06767 164.6
[M+CH3COO]- 262.08332 185.4
[M+Na-2H]- 224.04414 145.4
[M]+ 203.06892 139.9
[M]- 203.07002 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