CID 3746704

115294-86-5

Structural Information

Molecular Formula
C10H15N5O4
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCO)CCO
InChI
InChI=1S/C10H15N5O4/c1-14-7-6(8(18)13-10(14)19)15(3-5-17)9(12-7)11-2-4-16/h16-17H,2-5H2,1H3,(H,11,12)(H,13,18,19)
InChIKey
NVIKCFPMGSTSCP-UHFFFAOYSA-N
Compound name
7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1124 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11968 159.6
[M+Na]+ 292.10162 170.2
[M+NH4]+ 287.14622 162.7
[M+K]+ 308.07556 168.9
[M-H]- 268.10512 156.4
[M+Na-2H]- 290.08707 161.0
[M]+ 269.11185 159.6
[M]- 269.11295 159.6
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.