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]+ 216.07675 145.0
[M+Na]+ 238.05869 153.9
[M-H]- 214.06219 149.4
[M+NH4]+ 233.10329 162.0
[M+K]+ 254.03263 150.6
[M+H-H2O]+ 198.06673 136.7
[M+HCOO]- 260.06767 168.8
[M+CH3COO]- 274.08332 188.1
[M+Na-2H]- 236.04414 149.0
[M]+ 215.06892 144.7
[M]- 215.07002 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.