CID 950535

8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1h-purine-2,6(3h,7h)-dione

Structural Information

Molecular Formula
C12H18N6O3
SMILES
CN1C2=C(C(=O)NC1=O)NC(=N2)N3CCN(CC3)CCO
InChI
InChI=1S/C12H18N6O3/c1-16-9-8(10(20)15-12(16)21)13-11(14-9)18-4-2-17(3-5-18)6-7-19/h19H,2-7H2,1H3,(H,13,14)(H,15,20,21)
InChIKey
URCSBFWIIIDCLW-UHFFFAOYSA-N
Compound name
8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14404 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15132 169.3
[M+Na]+ 317.13326 181.1
[M+NH4]+ 312.17786 172.6
[M+K]+ 333.10720 179.0
[M-H]- 293.13676 167.1
[M+Na-2H]- 315.11871 171.6
[M]+ 294.14349 169.8
[M]- 294.14459 169.8
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.