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]+ 433.23064 207.4
[M+Na]+ 455.21258 217.2
[M-H]- 431.21608 209.0
[M+NH4]+ 450.25718 209.0
[M+K]+ 471.18652 211.6
[M+H-H2O]+ 415.22062 195.8
[M+HCOO]- 477.22156 216.2
[M+CH3COO]- 491.23721 213.9
[M+Na-2H]- 453.19803 202.3
[M]+ 432.22281 211.8
[M]- 432.22391 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