CID 452961

Uridine, 2',5'-dideoxy-5'-isocyano-

Structural Information

Molecular Formula
C10H11N3O4
SMILES
[C-]#[N+]C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O
InChI
InChI=1S/C10H11N3O4/c1-11-5-7-6(14)4-9(17-7)13-3-2-8(15)12-10(13)16/h2-3,6-7,9,14H,4-5H2,(H,12,15,16)/t6-,7+,9+/m0/s1
InChIKey
IKBBBIMEXCKMKW-LKEWCRSYSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(isocyanomethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.07495 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08223 152.4
[M+Na]+ 260.06417 162.1
[M-H]- 236.06767 152.5
[M+NH4]+ 255.10877 163.9
[M+K]+ 276.03811 153.5
[M+H-H2O]+ 220.07221 142.5
[M+HCOO]- 282.07315 166.0
[M+CH3COO]- 296.08880 186.4
[M+Na-2H]- 258.04962 156.3
[M]+ 237.07440 142.6
[M]- 237.07550 142.6
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

No patent data available for this compound.