CID 6482245

2'-deoxy-5-(1-hydroxyethyl)uridine

Structural Information

Molecular Formula
C11H16N2O6
SMILES
CC(C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H16N2O6/c1-5(15)6-3-13(11(18)12-10(6)17)9-2-7(16)8(4-14)19-9/h3,5,7-9,14-16H,2,4H2,1H3,(H,12,17,18)/t5?,7-,8+,9+/m0/s1
InChIKey
YFHOSHJWXJOKTI-BLYALZSPSA-N
Compound name
5-(1-hydroxyethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

272.10083 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10811 158.0
[M+Na]+ 295.09005 166.1
[M-H]- 271.09355 158.4
[M+NH4]+ 290.13465 169.6
[M+K]+ 311.06399 163.5
[M+H-H2O]+ 255.09809 151.3
[M+HCOO]- 317.09903 172.0
[M+CH3COO]- 331.11468 188.4
[M+Na-2H]- 293.07550 157.5
[M]+ 272.10028 156.8
[M]- 272.10138 156.8
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