CID 15958136

Schembl14014934

Structural Information

Molecular Formula
C20H20FN3O3
SMILES
COC1=C(C=C(C=C1)C2=C(N3C(=C(C=N3)C(=O)O)N=C2)C4CCCCC4)F
InChI
InChI=1S/C20H20FN3O3/c1-27-17-8-7-13(9-16(17)21)14-10-22-19-15(20(25)26)11-23-24(19)18(14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,25,26)
InChIKey
DIULFTCMCTZSHW-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

369.14886 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15614 186.9
[M+Na]+ 392.13808 194.9
[M-H]- 368.14158 191.3
[M+NH4]+ 387.18268 196.7
[M+K]+ 408.11202 188.7
[M+H-H2O]+ 352.14612 175.3
[M+HCOO]- 414.14706 201.1
[M+CH3COO]- 428.16271 195.6
[M+Na-2H]- 390.12353 186.4
[M]+ 369.14831 185.6
[M]- 369.14941 185.6
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