CID 452737

2'-morpholino-ddu

Structural Information

Molecular Formula
C13H19N3O5
SMILES
C1COCCN1[C@@H]2C[C@H](O[C@H]2N3C=CC(=O)NC3=O)CO
InChI
InChI=1S/C13H19N3O5/c17-8-9-7-10(15-3-5-20-6-4-15)12(21-9)16-2-1-11(18)14-13(16)19/h1-2,9-10,12,17H,3-8H2,(H,14,18,19)/t9-,10+,12+/m0/s1
InChIKey
WPXRFWZBGOPLDP-HOSYDEDBSA-N
Compound name
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.13248 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13976 167.4
[M+Na]+ 320.12170 173.5
[M-H]- 296.12520 171.5
[M+NH4]+ 315.16630 175.7
[M+K]+ 336.09564 171.5
[M+H-H2O]+ 280.12974 158.1
[M+HCOO]- 342.13068 179.3
[M+CH3COO]- 356.14633 194.8
[M+Na-2H]- 318.10715 167.7
[M]+ 297.13193 163.6
[M]- 297.13303 163.6
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.