CID 452880

133488-27-4

Structural Information

Molecular Formula
C10H14ClN3O5
SMILES
C1[C@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)Cl)[C@@H](CO)O)N
InChI
InChI=1S/C10H14ClN3O5/c11-4-2-14(10(18)13-9(4)17)7-1-5(12)8(19-7)6(16)3-15/h2,5-8,15-16H,1,3,12H2,(H,13,17,18)/t5-,6-,7+,8+/m1/s1
InChIKey
OARFQCHQOAHGCU-NGJRWZKOSA-N
Compound name
1-[(2S,4R,5S)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-yl]-5-chloropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.0622 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06948 161.2
[M+Na]+ 314.05142 170.1
[M-H]- 290.05492 162.6
[M+NH4]+ 309.09602 173.1
[M+K]+ 330.02536 166.0
[M+H-H2O]+ 274.05946 154.9
[M+HCOO]- 336.06040 172.8
[M+CH3COO]- 350.07605 193.9
[M+Na-2H]- 312.03687 160.6
[M]+ 291.06165 160.4
[M]- 291.06275 160.4
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.