CID 16442200

1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,5-dihydro-1h-pyrazol-5-one

Structural Information

Molecular Formula
C10H12N4O
SMILES
CC1=NN(C(=O)C1)C2=NC(=CC(=N2)C)C
InChI
InChI=1S/C10H12N4O/c1-6-4-7(2)12-10(11-6)14-9(15)5-8(3)13-14/h4H,5H2,1-3H3
InChIKey
OAPBOQRKEINXTQ-UHFFFAOYSA-N
Compound name
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 145.3
[M+Na]+ 227.09032 156.7
[M-H]- 203.09382 147.8
[M+NH4]+ 222.13492 161.4
[M+K]+ 243.06426 153.3
[M+H-H2O]+ 187.09836 136.4
[M+HCOO]- 249.09930 165.4
[M+CH3COO]- 263.11495 187.2
[M+Na-2H]- 225.07577 148.7
[M]+ 204.10055 146.7
[M]- 204.10165 146.7
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.