CID 72273

3'-isocyano-2',3'-dideoxyuridine

Structural Information

Molecular Formula
C10H11N3O4
SMILES
[C-]#[N+][C@H]1C[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H11N3O4/c1-11-6-4-9(17-7(6)5-14)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
KEPYLRFTUFPYBU-LKEWCRSYSA-N
Compound name
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

237.07495 Da
Monoisotopic Mass

-1.5
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

patents stripe