CID 3041147

1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl)-, dihydrobromide

Structural Information

Molecular Formula
C15H24N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)CCO
InChI
InChI=1S/C15H24N6O3/c1-17-13-12(14(23)18(2)15(17)24)21(11-16-13)8-7-19-3-5-20(6-4-19)9-10-22/h11,22H,3-10H2,1-2H3
InChIKey
DPYSXFBISVTISH-UHFFFAOYSA-N
Compound name
7-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.19098 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19826 182.2
[M+Na]+ 359.18020 194.7
[M+NH4]+ 354.22480 185.6
[M+K]+ 375.15414 191.5
[M-H]- 335.18370 180.9
[M+Na-2H]- 357.16565 184.5
[M]+ 336.19043 183.2
[M]- 336.19153 183.2
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.