CID 460081

103884-97-5

Structural Information

Molecular Formula
C10H13FN6O3
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)N)N
InChI
InChI=1S/C10H13FN6O3/c11-4-6(19)3(1-18)20-9(4)17-2-14-5-7(12)15-10(13)16-8(5)17/h2-4,6,9,18-19H,1H2,(H4,12,13,15,16)/t3-,4+,6-,9-/m1/s1
InChIKey
MHWHYOFBOWTAHZ-AYQXTPAHSA-N
Compound name
(2R,3R,4S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

284.1033 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11058 160.9
[M+Na]+ 307.09252 171.9
[M-H]- 283.09602 161.6
[M+NH4]+ 302.13712 173.0
[M+K]+ 323.06646 168.1
[M+H-H2O]+ 267.10056 152.2
[M+HCOO]- 329.10150 177.6
[M+CH3COO]- 343.11715 171.5
[M+Na-2H]- 305.07797 161.5
[M]+ 284.10275 159.3
[M]- 284.10385 159.3
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