CID 460466

Nsc650304

Structural Information

Molecular Formula
C11H13FN4O3
SMILES
COC1=NC=NC2=C1N=CN2[C@H]3[C@H](C[C@H](O3)CO)F
InChI
InChI=1S/C11H13FN4O3/c1-18-10-8-9(13-4-14-10)16(5-15-8)11-7(12)2-6(3-17)19-11/h4-7,11,17H,2-3H2,1H3/t6-,7-,11+/m0/s1
InChIKey
YATGIHKVERDKLB-OKTBNZSVSA-N
Compound name
[(2S,4S,5R)-4-fluoro-5-(6-methoxypurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

268.09717 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10445 156.1
[M+Na]+ 291.08639 167.2
[M-H]- 267.08989 157.8
[M+NH4]+ 286.13099 170.1
[M+K]+ 307.06033 164.7
[M+H-H2O]+ 251.09443 147.0
[M+HCOO]- 313.09537 173.2
[M+CH3COO]- 327.11102 167.9
[M+Na-2H]- 289.07184 158.3
[M]+ 268.09662 158.8
[M]- 268.09772 158.8
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