CID 6475206

(e)-5-(2-chlorovinyl)-2'-deoxyuridine

Structural Information

Molecular Formula
C11H13ClN2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Cl)CO)O
InChI
InChI=1S/C11H13ClN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1
InChIKey
LKILSWTYYBIIQE-PIXDULNESA-N
Compound name
5-[(E)-2-chloroethenyl]-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

6
References

35
Patents

288.0513 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05858 160.2
[M+Na]+ 311.04052 170.3
[M-H]- 287.04402 161.7
[M+NH4]+ 306.08512 172.9
[M+K]+ 327.01446 165.1
[M+H-H2O]+ 271.04856 153.9
[M+HCOO]- 333.04950 172.1
[M+CH3COO]- 347.06515 189.5
[M+Na-2H]- 309.02597 160.7
[M]+ 288.05075 161.1
[M]- 288.05185 161.1
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