CID 15957899

7-(2-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C20H11F4N3O2
SMILES
C1=CC=C(C(=C1)C2=CC(=NC3=CC(=NN23)C(=O)O)C4=CC=C(C=C4)C(F)(F)F)F
InChI
InChI=1S/C20H11F4N3O2/c21-14-4-2-1-3-13(14)17-9-15(11-5-7-12(8-6-11)20(22,23)24)25-18-10-16(19(28)29)26-27(17)18/h1-10H,(H,28,29)
InChIKey
CVWBGJNLFIXCCH-UHFFFAOYSA-N
Compound name
7-(2-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

401.07874 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.08602 191.3
[M+Na]+ 424.06796 203.1
[M-H]- 400.07146 193.3
[M+NH4]+ 419.11256 200.1
[M+K]+ 440.04190 194.7
[M+H-H2O]+ 384.07600 177.7
[M+HCOO]- 446.07694 204.6
[M+CH3COO]- 460.09259 200.1
[M+Na-2H]- 422.05341 192.7
[M]+ 401.07819 189.2
[M]- 401.07929 189.2
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

patents stripe