CID 135702817

6,7-dihydro-8-cyclopentyl-6-propyl-3h-1,2,4-triazolo(3,4-i)purine-3,5(2h)-dione

Structural Information

Molecular Formula
C14H18N6O2
SMILES
CCCN1C2=C(C3=NNC(=O)N3C1=O)NC(=N2)C4CCCC4
InChI
InChI=1S/C14H18N6O2/c1-2-7-19-11-9(12-17-18-13(21)20(12)14(19)22)15-10(16-11)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,15,16)(H,18,21)
InChIKey
XZUNKYMBWSEALH-UHFFFAOYSA-N
Compound name
8-cyclopentyl-6-propyl-2,9-dihydro-[1,2,4]triazolo[3,4-f]purine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

302.1491 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15638 168.9
[M+Na]+ 325.13832 181.1
[M+NH4]+ 320.18292 173.7
[M+K]+ 341.11226 181.9
[M-H]- 301.14182 167.8
[M+Na-2H]- 323.12377 171.6
[M]+ 302.14855 169.9
[M]- 302.14965 169.9
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