CID 3066705

111038-25-6

Structural Information

Molecular Formula
C10H15N5O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)CC(CO)O
InChI
InChI=1S/C10H15N5O4/c1-13-7-6(8(18)14(2)10(13)19)15(9(11)12-7)3-5(17)4-16/h5,16-17H,3-4H2,1-2H3,(H2,11,12)
InChIKey
GYPQWFJSLDOPMK-UHFFFAOYSA-N
Compound name
8-amino-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1124 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11968 159.6
[M+Na]+ 292.10162 172.3
[M-H]- 268.10512 158.2
[M+NH4]+ 287.14622 172.7
[M+K]+ 308.07556 168.2
[M+H-H2O]+ 252.10966 152.3
[M+HCOO]- 314.11060 177.9
[M+CH3COO]- 328.12625 197.8
[M+Na-2H]- 290.08707 161.7
[M]+ 269.11185 163.5
[M]- 269.11295 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.