CID 6482566

Schembl6422535

Structural Information

Molecular Formula
C12H18N6O4
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N(C)N)CO)O)O
InChI
InChI=1S/C12H18N6O4/c1-12(21)8(20)6(3-19)22-11(12)18-5-16-7-9(17(2)13)14-4-15-10(7)18/h4-6,8,11,19-21H,3,13H2,1-2H3/t6-,8-,11-,12-/m1/s1
InChIKey
JKBAMDJCGZTSGO-YUTYNTIBSA-N
Compound name
(2R,3R,4R,5R)-2-[6-[amino(methyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

310.13895 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14623 166.9
[M+Na]+ 333.12817 176.4
[M-H]- 309.13167 169.2
[M+NH4]+ 328.17277 179.8
[M+K]+ 349.10211 174.6
[M+H-H2O]+ 293.13621 159.4
[M+HCOO]- 355.13715 183.9
[M+CH3COO]- 369.15280 205.7
[M+Na-2H]- 331.11362 169.5
[M]+ 310.13840 168.7
[M]- 310.13950 168.7
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.