CID 135744260

6-butyl-3-(4-pyridinyl)-6,7-dihydro-5h-1,2,4-triazolo(3,4-i)purin-5-one

Structural Information

Molecular Formula
C15H15N7O
SMILES
CCCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=NC=C4)NC=N2
InChI
InChI=1S/C15H15N7O/c1-2-3-8-21-13-11(17-9-18-13)14-20-19-12(22(14)15(21)23)10-4-6-16-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,17,18)
InChIKey
XCODJLWYMCHRLC-UHFFFAOYSA-N
Compound name
6-butyl-3-pyridin-4-yl-9H-[1,2,4]triazolo[3,4-f]purin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.13382 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14110 170.7
[M+Na]+ 332.12304 186.9
[M+NH4]+ 327.16764 176.1
[M+K]+ 348.09698 183.9
[M-H]- 308.12654 171.0
[M+Na-2H]- 330.10849 177.4
[M]+ 309.13327 173.0
[M]- 309.13437 173.0
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