CID 512673

5-(3-furyl)-6-aza-2'-deoxyuridine

Structural Information

Molecular Formula
C12H13N3O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)C3=COC=C3)CO)O
InChI
InChI=1S/C12H13N3O6/c16-4-8-7(17)3-9(21-8)15-12(19)13-11(18)10(14-15)6-1-2-20-5-6/h1-2,5,7-9,16-17H,3-4H2,(H,13,18,19)/t7-,8+,9+/m0/s1
InChIKey
ICOUJRSYGBMUAI-DJLDLDEBSA-N
Compound name
6-(furan-3-yl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.08044 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08772 161.4
[M+Na]+ 318.06966 170.8
[M-H]- 294.07316 166.3
[M+NH4]+ 313.11426 171.4
[M+K]+ 334.04360 168.8
[M+H-H2O]+ 278.07770 154.0
[M+HCOO]- 340.07864 177.4
[M+CH3COO]- 354.09429 192.3
[M+Na-2H]- 316.05511 161.6
[M]+ 295.07989 162.4
[M]- 295.08099 162.4
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.