CID 3077728

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

Structural Information

Molecular Formula
C15H16N6O2
SMILES
CCCN1C2=C(C3=NN=C(N3C1=O)C4=C(OC=C4)C)N(C=N2)C
InChI
InChI=1S/C15H16N6O2/c1-4-6-20-13-11(19(3)8-16-13)14-18-17-12(21(14)15(20)22)10-5-7-23-9(10)2/h5,7-8H,4,6H2,1-3H3
InChIKey
AOQYWSWSHRFMCE-UHFFFAOYSA-N
Compound name
9-methyl-3-(2-methylfuran-3-yl)-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

312.13348 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14076 170.5
[M+Na]+ 335.12270 186.3
[M+NH4]+ 330.16730 176.2
[M+K]+ 351.09664 186.4
[M-H]- 311.12620 172.4
[M+Na-2H]- 333.10815 175.1
[M]+ 312.13293 173.3
[M]- 312.13403 173.3
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