CID 62318837

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

Structural Information

Molecular Formula
C10H12N4O2
SMILES
COCC1=NN(C(=O)C1)C2=NC=C(C=C2)N
InChI
InChI=1S/C10H12N4O2/c1-16-6-8-4-10(15)14(13-8)9-3-2-7(11)5-12-9/h2-3,5H,4,6,11H2,1H3
InChIKey
AONJCJGFBMPJMZ-UHFFFAOYSA-N
Compound name
2-(5-aminopyridin-2-yl)-5-(methoxymethyl)-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09602 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 148.1
[M+Na]+ 243.08524 159.8
[M+NH4]+ 238.12984 154.3
[M+K]+ 259.05918 156.6
[M-H]- 219.08874 149.5
[M+Na-2H]- 241.07069 154.1
[M]+ 220.09547 149.8
[M]- 220.09657 149.8
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.