CID 512635

1',5'-anhydro-2',3'-dideoxy-2'-(5-vinyluracil-1-yl)-d-arabino-hexitol

Structural Information

Molecular Formula
C12H16N2O5
SMILES
C=CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](OC2)CO)O
InChI
InChI=1S/C12H16N2O5/c1-2-7-4-14(12(18)13-11(7)17)8-3-9(16)10(5-15)19-6-8/h2,4,8-10,15-16H,1,3,5-6H2,(H,13,17,18)/t8-,9-,10+/m0/s1
InChIKey
NQGQUYHJWKDVRT-LPEHRKFASA-N
Compound name
5-ethenyl-1-[(3S,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.10593 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 159.7
[M+Na]+ 291.09515 167.9
[M-H]- 267.09865 160.8
[M+NH4]+ 286.13975 170.3
[M+K]+ 307.06909 164.1
[M+H-H2O]+ 251.10319 151.8
[M+HCOO]- 313.10413 173.7
[M+CH3COO]- 327.11978 190.2
[M+Na-2H]- 289.08060 161.5
[M]+ 268.10538 157.0
[M]- 268.10648 157.0
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.