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]+ 365.193176 190.3
[M+Na]+ 387.175118 197.9
[M-H]- 363.178624 192.6
[M+NH4]+ 382.219723 193.4
[M+K]+ 403.149058 193.7
[M+H-H2O]+ 347.183160 177.9
[M+HCOO]- 409.184101 197.7
[M+CH3COO]- 423.199751 197.2
[M+Na-2H]- 385.160566 189.6
[M]+ 364.18535142 188.2
[M]- 364.18644858 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.