CID 15957931

Schembl14013952

Structural Information

Molecular Formula
C25H17N7O
SMILES
C1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C4=NNN=N4)N=C2)C5=CC(=CC=C5)OC6=CC=CC=C6
InChI
InChI=1S/C25H17N7O/c1-3-8-17(9-4-1)21-15-26-25-22(24-28-30-31-29-24)16-27-32(25)23(21)18-10-7-13-20(14-18)33-19-11-5-2-6-12-19/h1-16H,(H,28,29,30,31)
InChIKey
LLRCWCLVJIAIPP-UHFFFAOYSA-N
Compound name
7-(3-phenoxyphenyl)-6-phenyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

431.14944 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.15672 199.1
[M+Na]+ 454.13866 209.0
[M-H]- 430.14216 207.0
[M+NH4]+ 449.18326 201.7
[M+K]+ 470.11260 198.5
[M+H-H2O]+ 414.14670 184.6
[M+HCOO]- 476.14764 214.2
[M+CH3COO]- 490.16329 206.6
[M+Na-2H]- 452.12411 201.8
[M]+ 431.14889 199.7
[M]- 431.14999 199.7
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