CID 20249949

1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-((5-(2-(1-piperidinyl)ethyl)-1,2,4-oxadiazol-3-yl)methyl)-

Structural Information

Molecular Formula
C17H23N7O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NOC(=N3)CCN4CCCCC4
InChI
InChI=1S/C17H23N7O3/c1-21-15-14(16(25)22(2)17(21)26)24(11-18-15)10-12-19-13(27-20-12)6-9-23-7-4-3-5-8-23/h11H,3-10H2,1-2H3
InChIKey
LWNUXSAEXZIVNK-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-[[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

373.18625 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19353 191.5
[M+Na]+ 396.17547 202.6
[M-H]- 372.17897 195.1
[M+NH4]+ 391.22007 197.4
[M+K]+ 412.14941 197.3
[M+H-H2O]+ 356.18351 179.7
[M+HCOO]- 418.18445 204.6
[M+CH3COO]- 432.20010 200.3
[M+Na-2H]- 394.16092 189.4
[M]+ 373.18570 195.4
[M]- 373.18680 195.4
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