CID 15958085

Chembl583250

Structural Information

Molecular Formula
C23H21N7O
SMILES
CC(C)C1=C(C=NC2=C(C=NN12)C3=NNN=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C23H21N7O/c1-15(2)21-19(12-24-23-20(13-25-30(21)23)22-26-28-29-27-22)17-8-10-18(11-9-17)31-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,26,27,28,29)
InChIKey
CGCUUBBQFCGLJG-UHFFFAOYSA-N
Compound name
6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

411.18076 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.18804 197.5
[M+Na]+ 434.16998 207.0
[M-H]- 410.17348 202.6
[M+NH4]+ 429.21458 201.7
[M+K]+ 450.14392 198.1
[M+H-H2O]+ 394.17802 184.1
[M+HCOO]- 456.17896 211.8
[M+CH3COO]- 470.19461 205.1
[M+Na-2H]- 432.15543 198.3
[M]+ 411.18021 199.9
[M]- 411.18131 199.9
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

No patent data available for this compound.