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-amino-2-pyridinyl)-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]+ 221.103296 147.3
[M+Na]+ 243.085238 156.6
[M-H]- 219.088744 150.3
[M+NH4]+ 238.129843 163.1
[M+K]+ 259.059178 153.6
[M+H-H2O]+ 203.093280 138.4
[M+HCOO]- 265.094221 169.4
[M+CH3COO]- 279.109871 189.4
[M+Na-2H]- 241.070686 151.2
[M]+ 220.09547142 147.5
[M]- 220.09656858 147.5
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.