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 158.8
[M+Na]+ 292.10162 170.4
[M-H]- 268.10512 155.9
[M+NH4]+ 287.14622 171.2
[M+K]+ 308.07556 165.2
[M+H-H2O]+ 252.10966 151.0
[M+HCOO]- 314.11060 177.2
[M+CH3COO]- 328.12625 193.8
[M+Na-2H]- 290.08707 163.3
[M]+ 269.11185 162.0
[M]- 269.11295 162.0
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.