CID 61003406

N-[(1h-pyrazol-4-yl)methyl]-2-(pyridin-2-yl)acetamide

Structural Information

Molecular Formula
C11H12N4O
SMILES
C1=CC=NC(=C1)CC(=O)NCC2=CNN=C2
InChI
InChI=1S/C11H12N4O/c16-11(5-10-3-1-2-4-12-10)13-6-9-7-14-15-8-9/h1-4,7-8H,5-6H2,(H,13,16)(H,14,15)
InChIKey
JPVDZYHNTGZKKF-UHFFFAOYSA-N
Compound name
N-(1H-pyrazol-4-ylmethyl)-2-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1011 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10838 146.9
[M+Na]+ 239.09032 153.4
[M-H]- 215.09382 148.1
[M+NH4]+ 234.13492 161.5
[M+K]+ 255.06426 149.4
[M+H-H2O]+ 199.09836 137.4
[M+HCOO]- 261.09930 168.0
[M+CH3COO]- 275.11495 184.8
[M+Na-2H]- 237.07577 152.9
[M]+ 216.10055 144.6
[M]- 216.10165 144.6
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.