CID 943297

476481-40-0

Structural Information

Molecular Formula
C12H17N5O3
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCO
InChI
InChI=1S/C12H17N5O3/c1-15-9-8(10(19)14-12(15)20)17(6-7-18)11(13-9)16-4-2-3-5-16/h18H,2-7H2,1H3,(H,14,19,20)
InChIKey
XVAGOWMZWKFMQA-UHFFFAOYSA-N
Compound name
7-(2-hydroxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

279.13315 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14043 163.8
[M+Na]+ 302.12237 175.3
[M+NH4]+ 297.16697 168.1
[M+K]+ 318.09631 174.9
[M-H]- 278.12587 162.3
[M+Na-2H]- 300.10782 166.3
[M]+ 279.13260 164.5
[M]- 279.13370 164.5
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.