CID 451616

125362-06-3

Structural Information

Molecular Formula
C10H13FN6O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)F)O)N
InChI
InChI=1S/C10H13FN6O2/c11-5-4(1-12)19-10(7(5)18)17-3-16-6-8(13)14-2-15-9(6)17/h2-5,7,10,18H,1,12H2,(H2,13,14,15)/t4-,5-,7-,10-/m1/s1
InChIKey
JAVBHBHAMQYQAN-QYYRPYCUSA-N
Compound name
(2R,3S,4S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.1084 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11568 157.0
[M+Na]+ 291.09762 167.8
[M-H]- 267.10112 158.5
[M+NH4]+ 286.14222 170.2
[M+K]+ 307.07156 164.1
[M+H-H2O]+ 251.10566 147.8
[M+HCOO]- 313.10660 175.1
[M+CH3COO]- 327.12225 168.2
[M+Na-2H]- 289.08307 158.6
[M]+ 268.10785 155.3
[M]- 268.10895 155.3
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.