CID 6440090

5-(1-propenyl)-2'-deoxyuridine

Structural Information

Molecular Formula
C12H16N2O5
SMILES
C/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H16N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h2-3,5,8-10,15-16H,4,6H2,1H3,(H,13,17,18)/b3-2+/t8-,9+,10+/m0/s1
InChIKey
SMBMLBOPIUXCIM-YJCWOPNRSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

15
Patents

268.10593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 158.7
[M+Na]+ 291.09515 167.7
[M-H]- 267.09865 160.2
[M+NH4]+ 286.13975 171.3
[M+K]+ 307.06909 163.9
[M+H-H2O]+ 251.10319 151.7
[M+HCOO]- 313.10413 174.9
[M+CH3COO]- 327.11978 188.8
[M+Na-2H]- 289.08060 159.1
[M]+ 268.10538 158.1
[M]- 268.10648 158.1
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.