CID 3066706

111038-26-7

Structural Information

Molecular Formula
C11H17N5O4
SMILES
CNC1=NC2=C(N1CC(CO)O)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C11H17N5O4/c1-12-10-13-8-7(16(10)4-6(18)5-17)9(19)15(3)11(20)14(8)2/h6,17-18H,4-5H2,1-3H3,(H,12,13)
InChIKey
PCYJXCVNFNAIHS-UHFFFAOYSA-N
Compound name
7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(methylamino)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12805 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13533 163.5
[M+Na]+ 306.11727 175.7
[M-H]- 282.12077 162.3
[M+NH4]+ 301.16187 176.3
[M+K]+ 322.09121 171.7
[M+H-H2O]+ 266.12531 155.9
[M+HCOO]- 328.12625 182.1
[M+CH3COO]- 342.14190 201.2
[M+Na-2H]- 304.10272 166.1
[M]+ 283.12750 168.7
[M]- 283.12860 168.7
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.