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

14
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

literature stripe

Patent stripe

patents stripe