CID 5271065

Schembl8913103

Structural Information

Molecular Formula
C10H12FN5O2S
SMILES
C1[C@@H]([C@H](S[C@@H]1N2C=NC3=C(N=C(N=C32)F)N)CO)O
InChI
InChI=1S/C10H12FN5O2S/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6-/m0/s1
InChIKey
XMSJSETXPAEGMX-JKUQZMGJSA-N
Compound name
(2R,3S,5S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.06958 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07686 158.5
[M+Na]+ 308.05880 170.4
[M-H]- 284.06230 158.9
[M+NH4]+ 303.10340 173.3
[M+K]+ 324.03274 165.0
[M+H-H2O]+ 268.06684 151.2
[M+HCOO]- 330.06778 171.1
[M+CH3COO]- 344.08343 169.5
[M+Na-2H]- 306.04425 157.3
[M]+ 285.06903 158.9
[M]- 285.07013 158.9
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

patents stripe