CID 493224

5-cyano-2'-deoxyuridine

Structural Information

Molecular Formula
C10H11N3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#N)CO)O
InChI
InChI=1S/C10H11N3O5/c11-2-5-3-13(10(17)12-9(5)16)8-1-6(15)7(4-14)18-8/h3,6-8,14-15H,1,4H2,(H,12,16,17)/t6-,7+,8+/m0/s1
InChIKey
FJZRCDHFLPXKEK-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

40
Patents

253.06987 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07715 150.8
[M+Na]+ 276.05909 161.5
[M-H]- 252.06259 151.2
[M+NH4]+ 271.10369 162.1
[M+K]+ 292.03303 158.2
[M+H-H2O]+ 236.06713 136.9
[M+HCOO]- 298.06807 164.2
[M+CH3COO]- 312.08372 197.3
[M+Na-2H]- 274.04454 152.1
[M]+ 253.06932 144.8
[M]- 253.07042 144.8
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