CID 15958155

Schembl14014960

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CCCOC1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C(=O)O)N=C2)C4CCCCC4
InChI
InChI=1S/C22H25N3O3/c1-2-12-28-17-10-8-15(9-11-17)18-13-23-21-19(22(26)27)14-24-25(21)20(18)16-6-4-3-5-7-16/h8-11,13-14,16H,2-7,12H2,1H3,(H,26,27)
InChIKey
HZKJAPYNQRUHAH-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

379.1896 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 192.0
[M+Na]+ 402.17882 198.1
[M-H]- 378.18232 197.0
[M+NH4]+ 397.22342 201.1
[M+K]+ 418.15276 192.0
[M+H-H2O]+ 362.18686 180.7
[M+HCOO]- 424.18780 206.5
[M+CH3COO]- 438.20345 200.1
[M+Na-2H]- 400.16427 191.8
[M]+ 379.18905 191.8
[M]- 379.19015 191.8
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