CID 15958132

Chembl567697

Structural Information

Molecular Formula
C19H18FN3O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H18FN3O2/c20-14-8-6-12(7-9-14)15-10-21-18-16(19(24)25)11-22-23(18)17(15)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,24,25)
InChIKey
ATBIFOIEJPMDBU-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

339.1383 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14558 179.1
[M+Na]+ 362.12752 186.9
[M-H]- 338.13102 183.3
[M+NH4]+ 357.17212 190.0
[M+K]+ 378.10146 180.2
[M+H-H2O]+ 322.13556 167.6
[M+HCOO]- 384.13650 193.5
[M+CH3COO]- 398.15215 188.2
[M+Na-2H]- 360.11297 179.7
[M]+ 339.13775 175.7
[M]- 339.13885 175.7
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