CID 10388920

N(6)-(2,2-diphenylethyl)adenosine

Structural Information

Molecular Formula
C24H25N5O4
SMILES
C1=CC=C(C=C1)C(CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C5=CC=CC=C5
InChI
InChI=1S/C24H25N5O4/c30-12-18-20(31)21(32)24(33-18)29-14-28-19-22(26-13-27-23(19)29)25-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17-18,20-21,24,30-32H,11-12H2,(H,25,26,27)/t18-,20-,21-,24-/m1/s1
InChIKey
TUGMXIURLRAWSS-UMCMBGNQSA-N
Compound name
(2R,3R,4S,5R)-2-[6-(2,2-diphenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

17
Patents

447.19064 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.19792 207.1
[M+Na]+ 470.17986 219.9
[M+NH4]+ 465.22446 211.6
[M+K]+ 486.15380 218.5
[M-H]- 446.18336 212.9
[M+Na-2H]- 468.16531 213.3
[M]+ 447.19009 210.4
[M]- 447.19119 210.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe