CID 5273304

4-fluoro-2-hydroxymethyl-5-(2-methoxy-purin-9-yl)-tetrahydro-furan-3-ol

Structural Information

Molecular Formula
C11H13FN4O4
SMILES
COC1=NC=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C11H13FN4O4/c1-19-11-13-2-5-9(15-11)16(4-14-5)10-7(12)8(18)6(3-17)20-10/h2,4,6-8,10,17-18H,3H2,1H3/t6-,7-,8-,10-/m1/s1
InChIKey
XONKWUJHPJZVRH-FDDDBJFASA-N
Compound name
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-(2-methoxypurin-9-yl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09207 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09935 159.7
[M+Na]+ 307.08129 170.9
[M-H]- 283.08479 160.5
[M+NH4]+ 302.12589 172.5
[M+K]+ 323.05523 168.2
[M+H-H2O]+ 267.08933 151.1
[M+HCOO]- 329.09027 175.4
[M+CH3COO]- 343.10592 171.0
[M+Na-2H]- 305.06674 160.9
[M]+ 284.09152 162.4
[M]- 284.09262 162.4
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.