CID 3088214

117099-47-5

Structural Information

Molecular Formula
C10H15N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)CCO
InChI
InChI=1S/C10H15N5O3/c1-13(4-5-16)9-11-6-7(12-9)14(2)10(18)15(3)8(6)17/h16H,4-5H2,1-3H3,(H,11,12)
InChIKey
AXUZUPDOONNMJX-UHFFFAOYSA-N
Compound name
8-[2-hydroxyethyl(methyl)amino]-1,3-dimethyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1175 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.124776 155.4
[M+Na]+ 276.106718 168.0
[M-H]- 252.110224 155.4
[M+NH4]+ 271.151323 170.0
[M+K]+ 292.080658 164.3
[M+H-H2O]+ 236.114760 147.6
[M+HCOO]- 298.115701 175.8
[M+CH3COO]- 312.131351 196.9
[M+Na-2H]- 274.092166 159.7
[M]+ 253.11695142 160.4
[M]- 253.11804858 160.4
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.