CID 16729224

(2r,3r,5s)-2-[6-(benzyloxymethyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C18H20N4O4
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)COCC4=CC=CC=C4)CO
InChI
InChI=1S/C18H20N4O4/c23-7-13-6-15(24)18(26-13)22-11-21-16-14(19-10-20-17(16)22)9-25-8-12-4-2-1-3-5-12/h1-5,10-11,13,15,18,23-24H,6-9H2/t13-,15+,18+/m0/s1
InChIKey
KDFYSGOJKJKBBT-JCKWVBRZSA-N
Compound name
(2R,3R,5S)-5-(hydroxymethyl)-2-[6-(phenylmethoxymethyl)purin-9-yl]oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14847 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15575 180.3
[M+Na]+ 379.13769 188.6
[M-H]- 355.14119 184.8
[M+NH4]+ 374.18229 189.3
[M+K]+ 395.11163 184.4
[M+H-H2O]+ 339.14573 170.3
[M+HCOO]- 401.14667 195.9
[M+CH3COO]- 415.16232 189.7
[M+Na-2H]- 377.12314 181.2
[M]+ 356.14792 183.2
[M]- 356.14902 183.2
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.