CID 455424

Nsc629045

Structural Information

Molecular Formula
C10H11ClFN5O2
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C2N=C(N=C3Cl)N)CO
InChI
InChI=1S/C10H11ClFN5O2/c11-7-6-8(16-10(13)15-7)17(3-14-6)9-5(12)1-4(2-18)19-9/h3-5,9,18H,1-2H2,(H2,13,15,16)/t4-,5-,9+/m0/s1
InChIKey
LKOJBUIEGMYZQJ-DQSPEZDDSA-N
Compound name
[(2S,4S,5R)-5-(2-amino-6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

287.05853 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06581 160.7
[M+Na]+ 310.04775 172.9
[M-H]- 286.05125 162.1
[M+NH4]+ 305.09235 174.5
[M+K]+ 326.02169 168.1
[M+H-H2O]+ 270.05579 151.7
[M+HCOO]- 332.05673 173.4
[M+CH3COO]- 346.07238 172.0
[M+Na-2H]- 308.03320 161.6
[M]+ 287.05798 162.2
[M]- 287.05908 162.2
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.