CID 148744

5-vinyl-2'-deoxyuridine

Structural Information

Molecular Formula
C11H14N2O5
SMILES
C=CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C11H14N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h2,4,7-9,14-15H,1,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey
YAAQOXBNCODRSI-DJLDLDEBSA-N
Compound name
5-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

206
Patents

254.09027 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 153.9
[M+Na]+ 277.07949 163.3
[M-H]- 253.08299 155.5
[M+NH4]+ 272.12409 167.0
[M+K]+ 293.05343 159.7
[M+H-H2O]+ 237.08753 147.1
[M+HCOO]- 299.08847 170.5
[M+CH3COO]- 313.10412 186.4
[M+Na-2H]- 275.06494 154.8
[M]+ 254.08972 153.0
[M]- 254.09082 153.0
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

patents stripe