CID 5273010

5,6-dihydrodeoxyuridine

Structural Information

Molecular Formula
C9H14N2O5
SMILES
C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
InChIKey
XMJRLEURHMTTRX-SHYZEUOFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

271
Patents

230.09027 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09755 150.3
[M+Na]+ 253.07949 156.3
[M-H]- 229.08299 150.7
[M+NH4]+ 248.12409 163.8
[M+K]+ 269.05343 154.4
[M+H-H2O]+ 213.08753 143.6
[M+HCOO]- 275.08847 163.0
[M+CH3COO]- 289.10412 180.9
[M+Na-2H]- 251.06494 150.2
[M]+ 230.08972 144.7
[M]- 230.09082 144.7
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