CID 490353

Avs-6440

Structural Information

Molecular Formula
C11H12FN5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H](C(O3)C=CF)O)O)N
InChI
InChI=1S/C11H12FN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h1-5,7-8,11,18-19H,(H2,13,14,15)/t5?,7-,8-,11-/m1/s1
InChIKey
BQFMFVMXUGTLFQ-YQYOSIFRSA-N
Compound name
(2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(2-fluoroethenyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.0924 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09968 160.8
[M+Na]+ 304.08162 171.7
[M-H]- 280.08512 161.3
[M+NH4]+ 299.12622 173.3
[M+K]+ 320.05556 167.4
[M+H-H2O]+ 264.08966 152.0
[M+HCOO]- 326.09060 177.0
[M+CH3COO]- 340.10625 171.5
[M+Na-2H]- 302.06707 161.7
[M]+ 281.09185 159.8
[M]- 281.09295 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

literature stripe

Patent stripe

No patent data available for this compound.