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 203.4
[M+Na]+ 448.18562 213.5
[M-H]- 424.18912 207.4
[M+NH4]+ 443.23022 206.7
[M+K]+ 464.15956 202.5
[M+H-H2O]+ 408.19366 190.2
[M+HCOO]- 470.19460 216.9
[M+CH3COO]- 484.21025 210.3
[M+Na-2H]- 446.17107 203.4
[M]+ 425.19585 204.7
[M]- 425.19695 204.7
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