CID 494273

73149-22-1

Structural Information

Molecular Formula
C13H18FN3O6
SMILES
C1COCCN1C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O
InChI
InChI=1S/C13H18FN3O6/c14-5-8-9(18)10(19)12(23-8)17-6-7(11(20)15-13(17)21)16-1-3-22-4-2-16/h6,8-10,12,18-19H,1-5H2,(H,15,20,21)/t8-,9-,10-,12-/m1/s1
InChIKey
SLCFSGJZGPHBGV-DNRKLUKYSA-N
Compound name
1-[(2R,3R,4S,5S)-5-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]-5-morpholin-4-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.11795 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12523 174.6
[M+Na]+ 354.10717 181.8
[M-H]- 330.11067 176.8
[M+NH4]+ 349.15177 181.2
[M+K]+ 370.08111 179.2
[M+H-H2O]+ 314.11521 165.0
[M+HCOO]- 376.11615 184.0
[M+CH3COO]- 390.13180 200.6
[M+Na-2H]- 352.09262 172.6
[M]+ 331.11740 170.3
[M]- 331.11850 170.3
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.