CID 451394

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

Structural Information

Molecular Formula
C9H11FN6O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H11FN6O3/c10-4-2-16(9(18)13-8(4)11)7-1-5(14-15-12)6(3-17)19-7/h2,5-7,17H,1,3H2,(H2,11,13,18)/t5-,6+,7+/m0/s1
InChIKey
WPVOAMIAPQZNOC-RRKCRQDMSA-N
Compound name
4-amino-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

25
Patents

270.08768 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09496 154.7
[M+Na]+ 293.07690 162.7
[M-H]- 269.08040 160.1
[M+NH4]+ 288.12150 167.9
[M+K]+ 309.05084 155.8
[M+H-H2O]+ 253.08494 149.4
[M+HCOO]- 315.08588 180.3
[M+CH3COO]- 329.10153 198.8
[M+Na-2H]- 291.06235 161.7
[M]+ 270.08713 150.0
[M]- 270.08823 150.0
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

patents stripe