CID 25082899

1,5-anhydro-2-(guanin-9-yl)-2,3-dideoxy-d-ribohexitol

Structural Information

Molecular Formula
C11H16N6O3
SMILES
C1[C@H](CO[C@@H]([C@H]1O)CO)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C11H16N6O3/c12-9-8-10(16-11(13)15-9)17(4-14-8)5-1-6(19)7(2-18)20-3-5/h4-7,18-19H,1-3H2,(H4,12,13,15,16)/t5-,6+,7-/m1/s1
InChIKey
MEUPTMSSUCZTFT-DSYKOEDSSA-N
Compound name
(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.1284 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13568 164.2
[M+Na]+ 303.11762 173.3
[M-H]- 279.12112 165.0
[M+NH4]+ 298.16222 174.3
[M+K]+ 319.09156 169.3
[M+H-H2O]+ 263.12566 155.1
[M+HCOO]- 325.12660 179.4
[M+CH3COO]- 339.14225 173.8
[M+Na-2H]- 301.10307 167.2
[M]+ 280.12785 161.2
[M]- 280.12895 161.2
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.