CID 15958134

7-cyclohexyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C20H18F3N3O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C20H18F3N3O2/c21-20(22,23)14-8-6-12(7-9-14)15-10-24-18-16(19(27)28)11-25-26(18)17(15)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,27,28)
InChIKey
GUCCVRQPGSQIJF-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

389.1351 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14238 190.6
[M+Na]+ 412.12432 198.5
[M-H]- 388.12782 192.3
[M+NH4]+ 407.16892 199.5
[M+K]+ 428.09826 191.2
[M+H-H2O]+ 372.13236 177.7
[M+HCOO]- 434.13330 200.9
[M+CH3COO]- 448.14895 198.1
[M+Na-2H]- 410.10977 190.5
[M]+ 389.13455 184.9
[M]- 389.13565 184.9
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