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]+ 367.233976 189.9
[M+Na]+ 389.215918 199.0
[M-H]- 365.219424 187.1
[M+NH4]+ 384.260523 199.4
[M+K]+ 405.189858 193.5
[M+H-H2O]+ 349.223960 181.0
[M+HCOO]- 411.224901 205.1
[M+CH3COO]- 425.240551 215.0
[M+Na-2H]- 387.201366 189.2
[M]+ 366.22615142 197.8
[M]- 366.22724858 197.8
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.