CID 515220

(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(benzyloxyiminomethyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C17H18N6O4
SMILES
C1=CC=C(C=C1)CON=C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI
InChI=1S/C17H18N6O4/c18-15-12-16(20-8-19-15)23(9-21-12)17-14(25)13(24)11(27-17)6-22-26-7-10-4-2-1-3-5-10/h1-6,8-9,11,13-14,17,24-25H,7H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
InChIKey
IJZVRNLYGCRZES-LSCFUAHRSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(phenylmethoxyiminomethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.13895 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14623 181.5
[M+Na]+ 393.12817 190.1
[M-H]- 369.13167 187.8
[M+NH4]+ 388.17277 190.1
[M+K]+ 409.10211 186.1
[M+H-H2O]+ 353.13621 171.4
[M+HCOO]- 415.13715 200.7
[M+CH3COO]- 429.15280 191.2
[M+Na-2H]- 391.11362 183.8
[M]+ 370.13840 183.6
[M]- 370.13950 183.6
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

No patent data available for this compound.