CID 831914

514856-39-4

Structural Information

Molecular Formula
C12H14N4O
SMILES
CCN1C=C(C=N1)CNC(=O)C2=CN=CC=C2
InChI
InChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17)
InChIKey
BMMWLPQUDGCRRJ-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.124036 151.6
[M+Na]+ 253.105978 159.0
[M-H]- 229.109484 154.4
[M+NH4]+ 248.150583 166.7
[M+K]+ 269.079918 155.7
[M+H-H2O]+ 213.114020 141.9
[M+HCOO]- 275.114961 173.9
[M+CH3COO]- 289.130611 191.4
[M+Na-2H]- 251.091426 156.7
[M]+ 230.11621142 151.9
[M]- 230.11730858 151.9
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

No patent data available for this compound.