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 184.1
[M+Na]+ 359.18020 194.7
[M-H]- 335.18370 183.3
[M+NH4]+ 354.22480 192.3
[M+K]+ 375.15414 188.5
[M+H-H2O]+ 319.18824 173.4
[M+HCOO]- 381.18918 196.7
[M+CH3COO]- 395.20483 210.0
[M+Na-2H]- 357.16565 184.2
[M]+ 336.19043 186.5
[M]- 336.19153 186.5
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.