CID 154341

Ccris 5382

Structural Information

Molecular Formula
C23H25N5O6
SMILES
C1=CC=C2C(=C1)C=CC=C2OC[C@H](CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)O
InChI
InChI=1S/C23H25N5O6/c29-9-17-19(31)20(32)23(34-17)28-12-27-18-21(25-11-26-22(18)28)24-8-14(30)10-33-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,11-12,14,17,19-20,23,29-32H,8-10H2,(H,24,25,26)/t14-,17+,19+,20+,23+/m0/s1
InChIKey
DIWZLEHFHZUKRM-KVXBPHRHSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]amino]purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

467.18048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.18776 211.0
[M+Na]+ 490.16970 221.8
[M+NH4]+ 485.21430 214.2
[M+K]+ 506.14364 222.1
[M-H]- 466.17320 213.9
[M+Na-2H]- 488.15515 213.0
[M]+ 467.17993 212.9
[M]- 467.18103 212.9
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

patents stripe