CID 24844078

88338-43-6

Structural Information

Molecular Formula
C19H28N8O4
SMILES
CN1CCN(CC1)CCC2=NC(=NO2)CC(CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O
InChI
InChI=1S/C19H28N8O4/c1-23-6-8-26(9-7-23)5-4-15-21-14(22-31-15)10-13(28)11-27-12-20-17-16(27)18(29)25(3)19(30)24(17)2/h12-13,28H,4-11H2,1-3H3
InChIKey
MZLQBQAOTLKDEQ-UHFFFAOYSA-N
Compound name
7-[2-hydroxy-3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

432.22336 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.230636 207.4
[M+Na]+ 455.212578 217.2
[M-H]- 431.216084 209.0
[M+NH4]+ 450.257183 209.0
[M+K]+ 471.186518 211.6
[M+H-H2O]+ 415.220620 195.8
[M+HCOO]- 477.221561 216.2
[M+CH3COO]- 491.237211 213.9
[M+Na-2H]- 453.198026 202.3
[M]+ 432.22281142 211.8
[M]- 432.22390858 211.8
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

patents stripe