CID 15958086

Chembl570785

Structural Information

Molecular Formula
C24H23N7O
SMILES
CC(C)CC1=C(C=NC2=C(C=NN12)C3=NNN=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C24H23N7O/c1-16(2)12-22-20(13-25-24-21(14-26-31(22)24)23-27-29-30-28-23)18-8-10-19(11-9-18)32-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,27,28,29,30)
InChIKey
DBWNJRPFMZCMCV-UHFFFAOYSA-N
Compound name
7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

425.1964 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.20368 201.5
[M+Na]+ 448.18562 210.5
[M-H]- 424.18912 206.4
[M+NH4]+ 443.23022 205.0
[M+K]+ 464.15956 201.4
[M+H-H2O]+ 408.19366 187.9
[M+HCOO]- 470.19460 215.3
[M+CH3COO]- 484.21025 208.6
[M+Na-2H]- 446.17107 201.8
[M]+ 425.19585 204.1
[M]- 425.19695 204.1
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