CID 496497

Nsc691992

Structural Information

Molecular Formula
C13H16FN5O2
SMILES
C1CC1NC2=C3C(=NC=N2)N(C=N3)[C@@H]4[C@H](C[C@@H](O4)CO)F
InChI
InChI=1S/C13H16FN5O2/c14-9-3-8(4-20)21-13(9)19-6-17-10-11(18-7-1-2-7)15-5-16-12(10)19/h5-9,13,20H,1-4H2,(H,15,16,18)/t8-,9+,13+/m1/s1
InChIKey
RDZCNYJHDFNCHW-ZDMBXUJBSA-N
Compound name
[(2R,4S,5S)-5-[6-(cyclopropylamino)purin-9-yl]-4-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1288 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13608 168.5
[M+Na]+ 316.11802 179.8
[M-H]- 292.12152 173.4
[M+NH4]+ 311.16262 176.4
[M+K]+ 332.09196 173.8
[M+H-H2O]+ 276.12606 159.0
[M+HCOO]- 338.12700 185.9
[M+CH3COO]- 352.14265 178.7
[M+Na-2H]- 314.10347 170.0
[M]+ 293.12825 170.8
[M]- 293.12935 170.8
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.