CID 64992

2,5'-anhyfto-3'-azido-2',3'-dideoxyuridine

Structural Information

Molecular Formula
C9H9N5O3
SMILES
C1[C@@H]([C@H]2COC3=NC(=O)C=CN3[C@@H]1O2)N=[N+]=[N-]
InChI
InChI=1S/C9H9N5O3/c10-13-12-5-3-8-14-2-1-7(15)11-9(14)16-4-6(5)17-8/h1-2,5-6,8H,3-4H2/t5-,6+,8+/m0/s1
InChIKey
FJEFHLWFBLZMJP-SHYZEUOFSA-N
Compound name
(1R,10S,11S)-11-azido-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

235.07054 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07782 147.7
[M+Na]+ 258.05976 155.2
[M-H]- 234.06326 154.6
[M+NH4]+ 253.10436 163.7
[M+K]+ 274.03370 154.1
[M+H-H2O]+ 218.06780 143.7
[M+HCOO]- 280.06874 170.3
[M+CH3COO]- 294.08439 194.4
[M+Na-2H]- 256.04521 160.2
[M]+ 235.06999 145.2
[M]- 235.07109 145.2
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