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]+ 217.108376 146.9
[M+Na]+ 239.090318 153.4
[M-H]- 215.093824 148.1
[M+NH4]+ 234.134923 161.5
[M+K]+ 255.064258 149.4
[M+H-H2O]+ 199.098360 137.4
[M+HCOO]- 261.099301 168.0
[M+CH3COO]- 275.114951 184.8
[M+Na-2H]- 237.075766 152.9
[M]+ 216.10055142 144.6
[M]- 216.10164858 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.