CID 452263

3'-azido-5'-isocyano-2',3',5'-trideoxyuridine

Structural Information

Molecular Formula
C10H10N6O3
SMILES
[C-]#[N+]C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)N=[N+]=[N-]
InChI
InChI=1S/C10H10N6O3/c1-12-5-7-6(14-15-11)4-9(19-7)16-3-2-8(17)13-10(16)18/h2-3,6-7,9H,4-5H2,(H,13,17,18)/t6-,7+,9+/m0/s1
InChIKey
IGAWFONCMKMKOH-LKEWCRSYSA-N
Compound name
1-[(2R,4S,5R)-4-azido-5-(isocyanomethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.08145 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08873 166.1
[M+Na]+ 285.07067 173.6
[M-H]- 261.07417 168.8
[M+NH4]+ 280.11527 176.2
[M+K]+ 301.04461 161.4
[M+H-H2O]+ 245.07871 158.2
[M+HCOO]- 307.07965 185.4
[M+CH3COO]- 321.09530 196.7
[M+Na-2H]- 283.05612 173.2
[M]+ 262.08090 154.0
[M]- 262.08200 154.0
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.