CID 60801955

1-(5-aminopyridin-2-yl)-3-ethyl-4,5-dihydro-1h-pyrazol-5-one

Structural Information

Molecular Formula
C10H12N4O
SMILES
CCC1=NN(C(=O)C1)C2=NC=C(C=C2)N
InChI
InChI=1S/C10H12N4O/c1-2-8-5-10(15)14(13-8)9-4-3-7(11)6-12-9/h3-4,6H,2,5,11H2,1H3
InChIKey
AOVXJZIKSITLGQ-UHFFFAOYSA-N
Compound name
2-(5-aminopyridin-2-yl)-5-ethyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 144.6
[M+Na]+ 227.09032 154.2
[M-H]- 203.09382 147.6
[M+NH4]+ 222.13492 161.2
[M+K]+ 243.06426 150.6
[M+H-H2O]+ 187.09836 135.9
[M+HCOO]- 249.09930 166.6
[M+CH3COO]- 263.11495 187.3
[M+Na-2H]- 225.07577 148.4
[M]+ 204.10055 143.4
[M]- 204.10165 143.4
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.