CID 3070282

86257-19-4

Structural Information

Molecular Formula
C14H22N4O4
SMILES
CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC(CO)O
InChI
InChI=1S/C14H22N4O4/c1-3-18-12-11(13(21)16(2)14(18)22)17(9-15-12)7-5-4-6-10(20)8-19/h9-10,19-20H,3-8H2,1-2H3
InChIKey
HZRDAOILOAVLIL-UHFFFAOYSA-N
Compound name
7-(5,6-dihydroxyhexyl)-3-ethyl-1-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1641 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17138 173.4
[M+Na]+ 333.15332 184.7
[M+NH4]+ 328.19792 176.6
[M+K]+ 349.12726 182.4
[M-H]- 309.15682 170.2
[M+Na-2H]- 331.13877 174.4
[M]+ 310.16355 173.6
[M]- 310.16465 173.6
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.