CID 64781350

1-(4-formylphenyl)-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C11H9N3O2
SMILES
C1=CC(=CC=C1C=O)N2C=CC(=N2)C(=O)N
InChI
InChI=1S/C11H9N3O2/c12-11(16)10-5-6-14(13-10)9-3-1-8(7-15)2-4-9/h1-7H,(H2,12,16)
InChIKey
RDQWDYXIXBHKDI-UHFFFAOYSA-N
Compound name
1-(4-formylphenyl)pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06947 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 145.0
[M+Na]+ 238.058688 153.9
[M-H]- 214.062194 149.4
[M+NH4]+ 233.103293 162.0
[M+K]+ 254.032628 150.6
[M+H-H2O]+ 198.066730 136.7
[M+HCOO]- 260.067671 168.8
[M+CH3COO]- 274.083321 188.1
[M+Na-2H]- 236.044136 149.0
[M]+ 215.06892142 144.7
[M]- 215.07001858 144.7
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.