CID 469089

5-[2-(aminooxy)ethyl]-3'-azido-2',3'-dideoxyuridine

Structural Information

Molecular Formula
C11H16N6O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCON)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H16N6O5/c12-16-15-7-3-9(22-8(7)5-18)17-4-6(1-2-21-13)10(19)14-11(17)20/h4,7-9,18H,1-3,5,13H2,(H,14,19,20)/t7-,8+,9+/m0/s1
InChIKey
DPKYWJKNSSPCQN-DJLDLDEBSA-N
Compound name
5-(2-aminooxyethyl)-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.11823 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12551 165.6
[M+Na]+ 335.10745 171.8
[M-H]- 311.11095 170.6
[M+NH4]+ 330.15205 176.1
[M+K]+ 351.08139 164.7
[M+H-H2O]+ 295.11549 160.7
[M+HCOO]- 357.11643 190.4
[M+CH3COO]- 371.13208 203.7
[M+Na-2H]- 333.09290 172.2
[M]+ 312.11768 162.7
[M]- 312.11878 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.