CID 3070270

86256-98-6

Structural Information

Molecular Formula
C16H26N4O4
SMILES
CCCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)CC
InChI
InChI=1S/C16H26N4O4/c1-3-8-20-15(23)13-14(19(4-2)16(20)24)17-11-18(13)9-6-5-7-12(22)10-21/h11-12,21-22H,3-10H2,1-2H3
InChIKey
FECYSWSLNGZYBT-UHFFFAOYSA-N
Compound name
7-(5,6-dihydroxyhexyl)-3-ethyl-1-propylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

338.1954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20268 182.1
[M+Na]+ 361.18462 193.0
[M+NH4]+ 356.22922 185.0
[M+K]+ 377.15856 190.3
[M-H]- 337.18812 178.9
[M+Na-2H]- 359.17007 182.6
[M]+ 338.19485 182.3
[M]- 338.19595 182.3
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