CID 3074886

167375-24-8

Structural Information

Molecular Formula
C24H23N7O
SMILES
CCCCC1=C(C(=O)N2C(=N1)C=CN2)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C24H23N7O/c1-2-3-8-21-20(24(32)31-22(26-21)13-14-25-31)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)23-27-29-30-28-23/h4-7,9-14,25H,2-3,8,15H2,1H3,(H,27,28,29,30)
InChIKey
VWIFTEHIYUHYQI-UHFFFAOYSA-N
Compound name
5-butyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

425.1964 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.20368 203.1
[M+Na]+ 448.18562 220.1
[M+NH4]+ 443.23022 207.6
[M+K]+ 464.15956 215.6
[M-H]- 424.18912 207.0
[M+Na-2H]- 446.17107 212.4
[M]+ 425.19585 206.7
[M]- 425.19695 206.7
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