CID 453656

4'-cyano-2'-deoxyuridine

Structural Information

Molecular Formula
C10H11N3O5
SMILES
C1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(CO)C#N)O
InChI
InChI=1S/C10H11N3O5/c11-4-10(5-14)6(15)3-8(18-10)13-2-1-7(16)12-9(13)17/h1-2,6,8,14-15H,3,5H2,(H,12,16,17)/t6-,8+,10+/m0/s1
InChIKey
SKXFTDCFWRKZJX-SKWCMTHISA-N
Compound name
(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.06987 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07715 150.1
[M+Na]+ 276.05909 161.3
[M-H]- 252.06259 150.7
[M+NH4]+ 271.10369 163.2
[M+K]+ 292.03303 157.6
[M+H-H2O]+ 236.06713 136.9
[M+HCOO]- 298.06807 163.7
[M+CH3COO]- 312.08372 195.6
[M+Na-2H]- 274.04454 153.5
[M]+ 253.06932 144.2
[M]- 253.07042 144.2
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

patents stripe