CID 721644

7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-ol

Structural Information

Molecular Formula
C13H11N3O
SMILES
CC1=CC(=NC2=CC(=O)NN12)C3=CC=CC=C3
InChI
InChI=1S/C13H11N3O/c1-9-7-11(10-5-3-2-4-6-10)14-12-8-13(17)15-16(9)12/h2-8H,1H3,(H,15,17)
InChIKey
YHPLVWUWPHQOAW-UHFFFAOYSA-N
Compound name
7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09021 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.097486 148.3
[M+Na]+ 248.079428 160.5
[M-H]- 224.082934 152.0
[M+NH4]+ 243.124033 165.0
[M+K]+ 264.053368 154.4
[M+H-H2O]+ 208.087470 139.8
[M+HCOO]- 270.088411 169.9
[M+CH3COO]- 284.104061 161.4
[M+Na-2H]- 246.064876 155.4
[M]+ 225.08966142 149.6
[M]- 225.09075858 149.6
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.