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]+ 254.12478 155.5
[M+Na]+ 276.10672 167.4
[M+NH4]+ 271.15132 159.8
[M+K]+ 292.08066 165.7
[M-H]- 252.11022 153.7
[M+Na-2H]- 274.09217 158.4
[M]+ 253.11695 156.2
[M]- 253.11805 156.2
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.