CID 15958070

Chembl579020

Structural Information

Molecular Formula
C21H17N7O
SMILES
CC1=C(C=NC2=C(C=NN12)C3=NNN=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C21H17N7O/c1-14-18(11-22-21-19(12-23-28(14)21)20-24-26-27-25-20)16-7-9-17(10-8-16)29-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,25,26,27)
InChIKey
CUDFGYBCDPHXLZ-UHFFFAOYSA-N
Compound name
7-methyl-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

4
Patents

383.14944 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15672 189.9
[M+Na]+ 406.13866 200.7
[M-H]- 382.14216 195.1
[M+NH4]+ 401.18326 195.2
[M+K]+ 422.11260 191.5
[M+H-H2O]+ 366.14670 176.6
[M+HCOO]- 428.14764 205.7
[M+CH3COO]- 442.16329 198.4
[M+Na-2H]- 404.12411 192.4
[M]+ 383.14889 192.1
[M]- 383.14999 192.1
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