CID 15958065

Chembl571014

Structural Information

Molecular Formula
C26H26N4O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)N)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C26H26N4O2/c27-25(31)23-16-29-30-24(20-9-5-2-6-10-20)22(15-28-26(23)30)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,(H2,27,31)
InChIKey
JRABLXLKKVKDNC-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

426.20557 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21285 203.1
[M+Na]+ 449.19479 208.1
[M-H]- 425.19829 211.6
[M+NH4]+ 444.23939 209.6
[M+K]+ 465.16873 200.5
[M+H-H2O]+ 409.20283 189.8
[M+HCOO]- 471.20377 219.0
[M+CH3COO]- 485.21942 210.2
[M+Na-2H]- 447.18024 203.2
[M]+ 426.20502 200.2
[M]- 426.20612 200.2
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