CID 456617

405238-83-7

Structural Information

Molecular Formula
C10H11FN6O2
SMILES
C1=C([C@@H](O[C@@H]1CO)N2C=NC3=C(N=C(N=C32)N)N)F
InChI
InChI=1S/C10H11FN6O2/c11-5-1-4(2-18)19-9(5)17-3-14-6-7(12)15-10(13)16-8(6)17/h1,3-4,9,18H,2H2,(H4,12,13,15,16)/t4-,9+/m0/s1
InChIKey
NJEYWVZTRIAXQY-AJAUBTJJSA-N
Compound name
[(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.09274 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10002 155.6
[M+Na]+ 289.08196 167.5
[M-H]- 265.08546 157.6
[M+NH4]+ 284.12656 169.1
[M+K]+ 305.05590 163.6
[M+H-H2O]+ 249.09000 146.5
[M+HCOO]- 311.09094 175.2
[M+CH3COO]- 325.10659 167.4
[M+Na-2H]- 287.06741 158.2
[M]+ 266.09219 155.4
[M]- 266.09329 155.4
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.