CID 62891428

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

Structural Information

Molecular Formula
C9H8F2N4O
SMILES
C1C(=NN(C1=O)C2=NC=C(C=C2)N)C(F)F
InChI
InChI=1S/C9H8F2N4O/c10-9(11)6-3-8(16)15(14-6)7-2-1-5(12)4-13-7/h1-2,4,9H,3,12H2
InChIKey
DBGQTMXKFQAOEA-UHFFFAOYSA-N
Compound name
2-(5-aminopyridin-2-yl)-5-(difluoromethyl)-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.06662 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07390 144.9
[M+Na]+ 249.05584 154.6
[M-H]- 225.05934 145.4
[M+NH4]+ 244.10044 160.3
[M+K]+ 265.02978 150.8
[M+H-H2O]+ 209.06388 134.5
[M+HCOO]- 271.06482 164.1
[M+CH3COO]- 285.08047 190.6
[M+Na-2H]- 247.04129 147.0
[M]+ 226.06607 140.6
[M]- 226.06717 140.6
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.