CID 853498

65919-57-5

Structural Information

Molecular Formula
C14H22N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CN3CCN(CC3)CCO
InChI
InChI=1S/C14H22N6O3/c1-17-12-11(13(22)18(2)14(17)23)15-10(16-12)9-20-5-3-19(4-6-20)7-8-21/h21H,3-9H2,1-2H3,(H,15,16)
InChIKey
NRFBVWGAMBIFCR-UHFFFAOYSA-N
Compound name
8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.17532 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18260 178.3
[M+Na]+ 345.16454 190.6
[M+NH4]+ 340.20914 181.6
[M+K]+ 361.13848 187.9
[M-H]- 321.16804 176.7
[M+Na-2H]- 343.14999 180.4
[M]+ 322.17477 179.1
[M]- 322.17587 179.1
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.