CID 453832

2'-deoxy-4'-methoxyadenosine

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CO[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)CO
InChI
InChI=1S/C11H15N5O4/c1-19-11(3-17)6(18)2-7(20-11)16-5-15-8-9(12)13-4-14-10(8)16/h4-7,17-18H,2-3H2,1H3,(H2,12,13,14)/t6-,7+,11+/m0/s1
InChIKey
XGFWFQJCKGWHGK-MVKOHCKWSA-N
Compound name
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methoxyoxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1124 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 158.5
[M+Na]+ 304.10162 168.9
[M-H]- 280.10512 160.3
[M+NH4]+ 299.14622 172.7
[M+K]+ 320.07556 166.6
[M+H-H2O]+ 264.10966 150.8
[M+HCOO]- 326.11060 175.8
[M+CH3COO]- 340.12625 169.8
[M+Na-2H]- 302.08707 162.4
[M]+ 281.11185 160.7
[M]- 281.11295 160.7
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

No patent data available for this compound.