CID 135702819

8-cyclopentyl-3-methyl-6-propyl-6,7-dihydro-5h-1,2,4-triazolo(3,4-i)purin-5-one

Structural Information

Molecular Formula
C15H20N6O
SMILES
CCCN1C2=C(C3=NN=C(N3C1=O)C)NC(=N2)C4CCCC4
InChI
InChI=1S/C15H20N6O/c1-3-8-20-13-11(14-19-18-9(2)21(14)15(20)22)16-12(17-13)10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,16,17)
InChIKey
XLZCCEONHHHKNP-UHFFFAOYSA-N
Compound name
8-cyclopentyl-3-methyl-6-propyl-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

300.16986 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17714 172.1
[M+Na]+ 323.15908 184.6
[M-H]- 299.16258 174.1
[M+NH4]+ 318.20368 186.6
[M+K]+ 339.13302 178.7
[M+H-H2O]+ 283.16712 162.9
[M+HCOO]- 345.16806 188.9
[M+CH3COO]- 359.18371 183.0
[M+Na-2H]- 321.14453 171.1
[M]+ 300.16931 175.7
[M]- 300.17041 175.7
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