CID 15958255

Chembl567494

Structural Information

Molecular Formula
C19H18FN3O3
SMILES
C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC(=CC=C4)F
InChI
InChI=1S/C19H18FN3O3/c20-13-8-4-7-12(9-13)17-16(11-5-2-1-3-6-11)18(24)23-15(21-17)10-14(22-23)19(25)26/h4,7-11,22H,1-3,5-6H2,(H,25,26)
InChIKey
LDWNDAWVALYLJV-UHFFFAOYSA-N
Compound name
6-cyclohexyl-5-(3-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

355.1332 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14048 182.0
[M+Na]+ 378.12242 190.4
[M-H]- 354.12592 185.4
[M+NH4]+ 373.16702 191.8
[M+K]+ 394.09636 183.0
[M+H-H2O]+ 338.13046 171.1
[M+HCOO]- 400.13140 195.3
[M+CH3COO]- 414.14705 190.7
[M+Na-2H]- 376.10787 181.7
[M]+ 355.13265 178.0
[M]- 355.13375 178.0
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.