CID 20249933

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

Structural Information

Molecular Formula
C16H21N7O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NOC(=N3)CCN4CCOCC4
InChI
InChI=1S/C16H21N7O4/c1-20-14-13(15(24)21(2)16(20)25)23(10-17-14)9-11-18-12(27-19-11)3-4-22-5-7-26-8-6-22/h10H,3-9H2,1-2H3
InChIKey
GIRGERVDJKCEEK-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-[[5-(2-morpholin-4-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

375.1655 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17278 190.8
[M+Na]+ 398.15472 202.3
[M-H]- 374.15822 195.1
[M+NH4]+ 393.19932 195.2
[M+K]+ 414.12866 198.5
[M+H-H2O]+ 358.16276 179.4
[M+HCOO]- 420.16370 203.3
[M+CH3COO]- 434.17935 199.8
[M+Na-2H]- 396.14017 189.0
[M]+ 375.16495 196.2
[M]- 375.16605 196.2
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