CID 451369

3'-azido-2',3'-dideoxy-5-aminouridine

Structural Information

Molecular Formula
C9H12N6O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H12N6O4/c10-4-2-15(9(18)12-8(4)17)7-1-5(13-14-11)6(3-16)19-7/h2,5-7,16H,1,3,10H2,(H,12,17,18)/t5-,6+,7+/m0/s1
InChIKey
GBKMCUTZIIKOCB-RRKCRQDMSA-N
Compound name
5-amino-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

1
References

19
Patents

268.092 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09928 154.7
[M+Na]+ 291.08122 162.2
[M-H]- 267.08472 160.1
[M+NH4]+ 286.12582 167.1
[M+K]+ 307.05516 154.8
[M+H-H2O]+ 251.08926 150.4
[M+HCOO]- 313.09020 180.1
[M+CH3COO]- 327.10585 195.2
[M+Na-2H]- 289.06667 162.0
[M]+ 268.09145 149.8
[M]- 268.09255 149.8
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