CID 15958181

Schembl4709028

Structural Information

Molecular Formula
C20H20FN3O2
SMILES
CC1=NN2C(=C(C=NC2=C1C(=O)O)C3=CC=C(C=C3)F)C4CCCCC4
InChI
InChI=1S/C20H20FN3O2/c1-12-17(20(25)26)19-22-11-16(13-7-9-15(21)10-8-13)18(24(19)23-12)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,25,26)
InChIKey
FOQBXWFFKRPTEU-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

353.15396 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16124 184.3
[M+Na]+ 376.14318 192.6
[M-H]- 352.14668 188.7
[M+NH4]+ 371.18778 194.9
[M+K]+ 392.11712 185.6
[M+H-H2O]+ 336.15122 172.8
[M+HCOO]- 398.15216 198.3
[M+CH3COO]- 412.16781 193.2
[M+Na-2H]- 374.12863 183.6
[M]+ 353.15341 181.6
[M]- 353.15451 181.6
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