CID 3126113

313403-91-7

Structural Information

Molecular Formula
C16H25N5O5
SMILES
CC(C)OCC(CN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C)O
InChI
InChI=1S/C16H25N5O5/c1-10(2)26-9-11(22)8-21-12-13(19(3)16(24)18-14(12)23)17-15(21)20-4-6-25-7-5-20/h10-11,22H,4-9H2,1-3H3,(H,18,23,24)
InChIKey
OQXUHVPENAGNPY-UHFFFAOYSA-N
Compound name
7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.18558 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19286 187.2
[M+Na]+ 390.17480 195.0
[M-H]- 366.17830 186.9
[M+NH4]+ 385.21940 192.9
[M+K]+ 406.14874 191.7
[M+H-H2O]+ 350.18284 177.3
[M+HCOO]- 412.18378 196.9
[M+CH3COO]- 426.19943 213.1
[M+Na-2H]- 388.16025 186.0
[M]+ 367.18503 189.6
[M]- 367.18613 189.6
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

No patent data available for this compound.