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]+ 231.12404 151.6
[M+Na]+ 253.10598 159.0
[M-H]- 229.10948 154.4
[M+NH4]+ 248.15058 166.7
[M+K]+ 269.07992 155.7
[M+H-H2O]+ 213.11402 141.9
[M+HCOO]- 275.11496 173.9
[M+CH3COO]- 289.13061 191.4
[M+Na-2H]- 251.09143 156.7
[M]+ 230.11621 151.9
[M]- 230.11731 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.