CID 20784958

N-(1h-pyrazol-4-yl)pyridine-4-carboxamide

Structural Information

Molecular Formula
C9H8N4O
SMILES
C1=CN=CC=C1C(=O)NC2=CNN=C2
InChI
InChI=1S/C9H8N4O/c14-9(7-1-3-10-4-2-7)13-8-5-11-12-6-8/h1-6H,(H,11,12)(H,13,14)
InChIKey
CHAVSTXSGNSZCK-UHFFFAOYSA-N
Compound name
N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

188.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.077086 138.0
[M+Na]+ 211.059028 145.4
[M-H]- 187.062534 139.7
[M+NH4]+ 206.103633 153.8
[M+K]+ 227.032968 142.0
[M+H-H2O]+ 171.067070 129.0
[M+HCOO]- 233.068011 159.9
[M+CH3COO]- 247.083661 150.0
[M+Na-2H]- 209.044476 145.1
[M]+ 188.06926142 135.1
[M]- 188.07035858 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe