CID 3070855

7h-pyrazolo(4,3-d)pyrimidin-7-one, 1,6-dihydro-3-methyl-6-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C13H9F3N4O
SMILES
CC1=C2C(=NN1)C(=O)N(C=N2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C13H9F3N4O/c1-7-10-11(19-18-7)12(21)20(6-17-10)9-4-2-3-8(5-9)13(14,15)16/h2-6H,1H3,(H,18,19)
InChIKey
FLZNKSYEGWYWQU-UHFFFAOYSA-N
Compound name
3-methyl-6-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07285 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08013 164.1
[M+Na]+ 317.06207 177.6
[M-H]- 293.06557 163.0
[M+NH4]+ 312.10667 176.7
[M+K]+ 333.03601 170.2
[M+H-H2O]+ 277.07011 152.7
[M+HCOO]- 339.07105 179.2
[M+CH3COO]- 353.08670 174.9
[M+Na-2H]- 315.04752 169.2
[M]+ 294.07230 162.5
[M]- 294.07340 162.5
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.