CID 467293

Nsc655262

Structural Information

Molecular Formula
C17H18FN5O3
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C(N=CN=C32)NOCC4=CC=CC=C4)CO
InChI
InChI=1S/C17H18FN5O3/c18-13-6-12(7-24)26-17(13)23-10-21-14-15(19-9-20-16(14)23)22-25-8-11-4-2-1-3-5-11/h1-5,9-10,12-13,17,24H,6-8H2,(H,19,20,22)/t12-,13-,17+/m0/s1
InChIKey
FGPKPIYKVHPCQW-GDZNZVCISA-N
Compound name
[(2S,4S,5R)-4-fluoro-5-[6-(phenylmethoxyamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.13937 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14665 178.1
[M+Na]+ 382.12859 186.7
[M-H]- 358.13209 182.7
[M+NH4]+ 377.17319 187.4
[M+K]+ 398.10253 182.2
[M+H-H2O]+ 342.13663 166.9
[M+HCOO]- 404.13757 195.4
[M+CH3COO]- 418.15322 187.8
[M+Na-2H]- 380.11404 180.2
[M]+ 359.13882 179.7
[M]- 359.13992 179.7
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.