CID 15958148

Chembl570530

Structural Information

Molecular Formula
C26H27N3O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)CO)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C26H27N3O2/c30-17-22-15-28-29-25(21-9-5-2-6-10-21)24(16-27-26(22)29)20-11-13-23(14-12-20)31-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-16,21,30H,2,5-6,9-10,17-18H2
InChIKey
KZHKVXWPEKRAEL-UHFFFAOYSA-N
Compound name
[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

413.21033 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21761 201.4
[M+Na]+ 436.19955 207.1
[M-H]- 412.20305 209.0
[M+NH4]+ 431.24415 208.6
[M+K]+ 452.17349 198.9
[M+H-H2O]+ 396.20759 188.3
[M+HCOO]- 458.20853 216.2
[M+CH3COO]- 472.22418 208.7
[M+Na-2H]- 434.18500 202.1
[M]+ 413.20978 199.4
[M]- 413.21088 199.4
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