CID 451368

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

Structural Information

Molecular Formula
C9H10FN5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H10FN5O4/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,1,3H2,(H,12,17,18)/t5-,6+,7+/m0/s1
InChIKey
YXDSILBXLUFJID-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

22
Patents

271.0717 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07898 153.9
[M+Na]+ 294.06092 162.4
[M-H]- 270.06442 158.4
[M+NH4]+ 289.10552 166.8
[M+K]+ 310.03486 154.9
[M+H-H2O]+ 254.06896 149.2
[M+HCOO]- 316.06990 177.9
[M+CH3COO]- 330.08555 193.2
[M+Na-2H]- 292.04637 160.9
[M]+ 271.07115 149.7
[M]- 271.07225 149.7
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