CID 15957962

Chembl571637

Structural Information

Molecular Formula
C26H25N3O3
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C26H25N3O3/c30-26(31)23-16-28-29-24(20-9-5-2-6-10-20)22(15-27-25(23)29)19-11-13-21(14-12-19)32-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H,30,31)
InChIKey
VFXKLEZTLGQSMY-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

427.1896 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19688 203.2
[M+Na]+ 450.17882 208.4
[M-H]- 426.18232 210.9
[M+NH4]+ 445.22342 209.4
[M+K]+ 466.15276 201.1
[M+H-H2O]+ 410.18686 190.2
[M+HCOO]- 472.18780 217.2
[M+CH3COO]- 486.20345 210.2
[M+Na-2H]- 448.16427 203.0
[M]+ 427.18905 201.3
[M]- 427.19015 201.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe