CID 10388812

Schembl14014415

Structural Information

Molecular Formula
C26H19N7O
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C=NC4=C(C=NN34)C5=NNN=N5)C6=CC=CC=C6
InChI
InChI=1S/C26H19N7O/c1-3-7-18(8-4-1)17-34-21-13-11-20(12-14-21)24-22(19-9-5-2-6-10-19)15-27-26-23(16-28-33(24)26)25-29-31-32-30-25/h1-16H,17H2,(H,29,30,31,32)
InChIKey
LJRWGMJLZVYREX-UHFFFAOYSA-N
Compound name
6-phenyl-7-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

445.1651 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17238 202.9
[M+Na]+ 468.15432 212.3
[M-H]- 444.15782 210.6
[M+NH4]+ 463.19892 204.9
[M+K]+ 484.12826 201.6
[M+H-H2O]+ 428.16236 188.1
[M+HCOO]- 490.16330 217.7
[M+CH3COO]- 504.17895 209.9
[M+Na-2H]- 466.13977 205.1
[M]+ 445.16455 203.7
[M]- 445.16565 203.7
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

patents stripe