CID 662752

3-methyl-8-morpholino-7-(2-morpholinoethyl)-1h-purine-2,6(3h,7h)-dione

Structural Information

Molecular Formula
C16H24N6O4
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCN4CCOCC4
InChI
InChI=1S/C16H24N6O4/c1-19-13-12(14(23)18-16(19)24)22(3-2-20-4-8-25-9-5-20)15(17-13)21-6-10-26-11-7-21/h2-11H2,1H3,(H,18,23,24)
InChIKey
VJDQKXZBJRVEQI-UHFFFAOYSA-N
Compound name
3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

364.1859 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19318 190.3
[M+Na]+ 387.17512 197.9
[M-H]- 363.17862 192.6
[M+NH4]+ 382.21972 193.4
[M+K]+ 403.14906 193.7
[M+H-H2O]+ 347.18316 177.9
[M+HCOO]- 409.18410 197.7
[M+CH3COO]- 423.19975 197.2
[M+Na-2H]- 385.16057 189.6
[M]+ 364.18535 188.2
[M]- 364.18645 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.