CID 474458

1-[(2r,4r,5s)-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-4-[(z)-morpholinomethyleneamino]pyrimidin-2-one

Structural Information

Molecular Formula
C15H22N4O5
SMILES
C1COCCN1C=NC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)CO)CO
InChI
InChI=1S/C15H22N4O5/c20-8-11-7-14(24-12(11)9-21)19-2-1-13(17-15(19)22)16-10-18-3-5-23-6-4-18/h1-2,10-12,14,20-21H,3-9H2/t11-,12-,14-/m1/s1
InChIKey
XGOQOABMENAPGW-YRGRVCCFSA-N
Compound name
1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.15903 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16631 179.1
[M+Na]+ 361.14825 183.9
[M-H]- 337.15175 184.2
[M+NH4]+ 356.19285 186.1
[M+K]+ 377.12219 182.3
[M+H-H2O]+ 321.15629 168.8
[M+HCOO]- 383.15723 192.9
[M+CH3COO]- 397.17288 207.5
[M+Na-2H]- 359.13370 179.6
[M]+ 338.15848 177.0
[M]- 338.15958 177.0
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.