CID 3070284

86257-22-9

Structural Information

Molecular Formula
C18H30N4O4
SMILES
CCCCCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)CC
InChI
InChI=1S/C18H30N4O4/c1-3-5-7-11-22-17(25)15-16(21(4-2)18(22)26)19-13-20(15)10-8-6-9-14(24)12-23/h13-14,23-24H,3-12H2,1-2H3
InChIKey
AXWFSJQUYWLVTD-UHFFFAOYSA-N
Compound name
7-(5,6-dihydroxyhexyl)-3-ethyl-1-pentylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.2267 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23398 190.8
[M+Na]+ 389.21592 201.3
[M+NH4]+ 384.26052 193.4
[M+K]+ 405.18986 198.1
[M-H]- 365.21942 187.5
[M+Na-2H]- 387.20137 190.8
[M]+ 366.22615 190.9
[M]- 366.22725 190.9
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

No patent data available for this compound.