CID 9977488

23666-24-2

Structural Information

Molecular Formula
C18H21N5O5
SMILES
COC1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C18H21N5O5/c1-27-11-4-2-10(3-5-11)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)28-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
InChIKey
LZNPQLJNXKVMMY-SCFUHWHPSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

387.15427 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16155 187.0
[M+Na]+ 410.14349 195.2
[M-H]- 386.14699 191.3
[M+NH4]+ 405.18809 194.2
[M+K]+ 426.11743 191.2
[M+H-H2O]+ 370.15153 177.6
[M+HCOO]- 432.15247 202.3
[M+CH3COO]- 446.16812 195.8
[M+Na-2H]- 408.12894 187.5
[M]+ 387.15372 190.0
[M]- 387.15482 190.0
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.