CID 3077725

5h-1,2,4-triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-pyridinyl)-

Structural Information

Molecular Formula
C15H15N7O
SMILES
CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=NC=C4)N(C=N2)C
InChI
InChI=1S/C15H15N7O/c1-3-8-21-13-11(20(2)9-17-13)14-19-18-12(22(14)15(21)23)10-4-6-16-7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKey
IXRRMTOSOQHNTG-UHFFFAOYSA-N
Compound name
9-methyl-6-propyl-3-pyridin-4-yl-[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

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14110 175.0
[M+Na]+ 332.12304 190.2
[M-H]- 308.12654 177.1
[M+NH4]+ 327.16764 186.4
[M+K]+ 348.09698 182.9
[M+H-H2O]+ 292.13108 164.1
[M+HCOO]- 354.13202 193.3
[M+CH3COO]- 368.14767 186.3
[M+Na-2H]- 330.10849 179.1
[M]+ 309.13327 182.2
[M]- 309.13437 182.2
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