CID 3057204

73986-44-4

Structural Information

Molecular Formula
C10H16N4O3
SMILES
CN1CN(C(=O)C2=C1N=CN2C)CC(CO)O
InChI
InChI=1S/C10H16N4O3/c1-12-5-11-9-8(12)10(17)14(6-13(9)2)3-7(16)4-15/h5,7,15-16H,3-4,6H2,1-2H3
InChIKey
NXQXDPWQCUGSGH-UHFFFAOYSA-N
Compound name
1-(2,3-dihydroxypropyl)-3,7-dimethyl-2H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12224 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 155.9
[M+Na]+ 263.11146 165.4
[M+NH4]+ 258.15606 160.6
[M+K]+ 279.08540 164.1
[M-H]- 239.11496 152.9
[M+Na-2H]- 261.09691 156.2
[M]+ 240.12169 155.9
[M]- 240.12279 155.9
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.