CID 15958139

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

Structural Information

Molecular Formula
C20H18F3N3O3
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C20H18F3N3O3/c21-20(22,23)29-14-8-6-12(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
AORDNVIFMQBJGK-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

405.13004 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13732 193.1
[M+Na]+ 428.11926 200.8
[M-H]- 404.12276 194.8
[M+NH4]+ 423.16386 201.2
[M+K]+ 444.09320 194.2
[M+H-H2O]+ 388.12730 180.1
[M+HCOO]- 450.12824 203.5
[M+CH3COO]- 464.14389 200.5
[M+Na-2H]- 426.10471 193.3
[M]+ 405.12949 188.8
[M]- 405.13059 188.8
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