CID 515218

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

Structural Information

Molecular Formula
C11H14N6O4
SMILES
CON=C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C11H14N6O4/c1-20-16-2-5-7(18)8(19)11(21-5)17-4-15-6-9(12)13-3-14-10(6)17/h2-5,7-8,11,18-19H,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey
KURUHDPGMDYQSF-IOSLPCCCSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(methoxyiminomethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.10767 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11495 163.0
[M+Na]+ 317.09689 173.0
[M-H]- 293.10039 166.3
[M+NH4]+ 312.14149 175.2
[M+K]+ 333.07083 170.7
[M+H-H2O]+ 277.10493 154.4
[M+HCOO]- 339.10587 182.9
[M+CH3COO]- 353.12152 174.2
[M+Na-2H]- 315.08234 165.9
[M]+ 294.10712 165.5
[M]- 294.10822 165.5
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.