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

literature stripe

Patent stripe

patents stripe