CID 135704115

Aristeromycin m

Structural Information

Molecular Formula
C11H14N4O3
SMILES
C[C@H]1C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C11H14N4O3/c1-5-2-6(9(17)8(5)16)15-4-14-7-10(15)12-3-13-11(7)18/h3-6,8-9,16-17H,2H2,1H3,(H,12,13,18)/t5-,6+,8+,9-/m0/s1
InChIKey
UZEOAVRGNBAIJW-LWIVVEGESA-N
Compound name
9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

250.1066 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11388 155.6
[M+Na]+ 273.09582 166.9
[M+NH4]+ 268.14042 160.9
[M+K]+ 289.06976 166.9
[M-H]- 249.09932 154.7
[M+Na-2H]- 271.08127 158.4
[M]+ 250.10605 156.5
[M]- 250.10715 156.5
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