CID 3010399

2(1h)-pyrimidinone, 4-amino-1-(3-azido-2,3-dideoxy-2-fluoro-beta-d-ribofuranosyl)-3,4-dihydro-

Structural Information

Molecular Formula
C9H13FN6O3
SMILES
C1=CN(C(=O)NC1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])F
InChI
InChI=1S/C9H13FN6O3/c10-6-7(14-15-12)4(3-17)19-8(6)16-2-1-5(11)13-9(16)18/h1-2,4-8,17H,3,11H2,(H,13,18)/t4-,5?,6-,7-,8-/m1/s1
InChIKey
MZRQJTVNVUDRAP-XVKVHKPRSA-N
Compound name
6-amino-3-[(2R,3R,4R,5S)-4-azido-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.1033 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11058 156.7
[M+Na]+ 295.09252 162.3
[M-H]- 271.09602 159.8
[M+NH4]+ 290.13712 168.8
[M+K]+ 311.06646 155.0
[M+H-H2O]+ 255.10056 151.7
[M+HCOO]- 317.10150 177.9
[M+CH3COO]- 331.11715 197.1
[M+Na-2H]- 293.07797 161.5
[M]+ 272.10275 147.4
[M]- 272.10385 147.4
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.