CID 515217

5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carbaldehyde oxime

Structural Information

Molecular Formula
C10H12N6O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C=NO)O)O)N
InChI
InChI=1S/C10H12N6O4/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(20-10)1-15-19/h1-4,6-7,10,17-19H,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
PQUIYLVBEAXSHI-KQYNXXCUSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxyiminomethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.092 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09928 159.0
[M+Na]+ 303.08122 169.1
[M-H]- 279.08472 161.2
[M+NH4]+ 298.12582 171.1
[M+K]+ 319.05516 166.2
[M+H-H2O]+ 263.08926 150.8
[M+HCOO]- 325.09020 177.7
[M+CH3COO]- 339.10585 170.0
[M+Na-2H]- 301.06667 162.0
[M]+ 280.09145 159.4
[M]- 280.09255 159.4
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.