CID 94312

5,6-dihydrouridine

Structural Information

Molecular Formula
C9H14N2O6
SMILES
C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChIKey
ZPTBLXKRQACLCR-XVFCMESISA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

118
References

19166
Patents

246.08519 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09247 154.3
[M+Na]+ 269.07441 161.2
[M+NH4]+ 264.11901 157.8
[M+K]+ 285.04835 162.2
[M-H]- 245.07791 152.8
[M+Na-2H]- 267.05986 152.7
[M]+ 246.08464 154.0
[M]- 246.08574 154.0
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