CID 467251

1-[(2r,4s,5r)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pteridine-2,4-dione

Structural Information

Molecular Formula
C11H11FN4O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=NC=CN=C3C(=O)NC2=O)CO)F
InChI
InChI=1S/C11H11FN4O4/c12-5-3-7(20-6(5)4-17)16-9-8(13-1-2-14-9)10(18)15-11(16)19/h1-2,5-7,17H,3-4H2,(H,15,18,19)/t5-,6+,7+/m0/s1
InChIKey
IVWJFMPFKUKILM-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.07645 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08373 160.8
[M+Na]+ 305.06567 171.9
[M-H]- 281.06917 160.9
[M+NH4]+ 300.11027 171.6
[M+K]+ 321.03961 167.5
[M+H-H2O]+ 265.07371 151.1
[M+HCOO]- 327.07465 174.4
[M+CH3COO]- 341.09030 171.2
[M+Na-2H]- 303.05112 163.6
[M]+ 282.07590 159.8
[M]- 282.07700 159.8
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.