CID 16097989

(2r,3r,5s)-5-(hydroxymethyl)-2-(6-phenylpurin-9-yl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C16H16N4O3
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)C4=CC=CC=C4)CO
InChI
InChI=1S/C16H16N4O3/c21-7-11-6-12(22)16(23-11)20-9-19-14-13(17-8-18-15(14)20)10-4-2-1-3-5-10/h1-5,8-9,11-12,16,21-22H,6-7H2/t11-,12+,16+/m0/s1
InChIKey
ASHBURRGHIDIGQ-HWWQOWPSSA-N
Compound name
(2R,3R,5S)-5-(hydroxymethyl)-2-(6-phenylpurin-9-yl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12225 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12953 169.6
[M+Na]+ 335.11147 179.2
[M-H]- 311.11497 174.5
[M+NH4]+ 330.15607 180.6
[M+K]+ 351.08541 174.6
[M+H-H2O]+ 295.11951 160.2
[M+HCOO]- 357.12045 185.8
[M+CH3COO]- 371.13610 180.1
[M+Na-2H]- 333.09692 171.3
[M]+ 312.12170 170.7
[M]- 312.12280 170.7
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.