CID 24844082

88339-21-3

Structural Information

Molecular Formula
C17H24N8O3
SMILES
CN1CCN(CC1)CCC2=NC(=NO2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C
InChI
InChI=1S/C17H24N8O3/c1-21-6-8-24(9-7-21)5-4-13-19-12(20-28-13)10-25-11-18-15-14(25)16(26)23(3)17(27)22(15)2/h11H,4-10H2,1-3H3
InChIKey
RHEXLFYPMKWENH-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-[[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

388.19714 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20442 198.1
[M+Na]+ 411.18636 210.0
[M-H]- 387.18986 200.8
[M+NH4]+ 406.23096 202.3
[M+K]+ 427.16030 204.1
[M+H-H2O]+ 371.19440 186.1
[M+HCOO]- 433.19534 209.6
[M+CH3COO]- 447.21099 206.2
[M+Na-2H]- 409.17181 194.7
[M]+ 388.19659 202.7
[M]- 388.19769 202.7
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