CID 135538744

2'-deoxy-4'-methoxyguanosine

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CO[C@]1([C@H](C[C@@H](O1)N2C=NC3=C2N=C(NC3=O)N)O)CO
InChI
InChI=1S/C11H15N5O5/c1-20-11(3-17)5(18)2-6(21-11)16-4-13-7-8(16)14-10(12)15-9(7)19/h4-6,17-18H,2-3H2,1H3,(H3,12,14,15,19)/t5-,6+,11+/m0/s1
InChIKey
IJQOFDIBBMYRQI-WGDKSQQYSA-N
Compound name
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

297.10733 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 161.9
[M+Na]+ 320.09655 172.7
[M-H]- 296.10005 162.8
[M+NH4]+ 315.14115 174.9
[M+K]+ 336.07049 169.7
[M+H-H2O]+ 280.10459 154.8
[M+HCOO]- 342.10553 177.9
[M+CH3COO]- 356.12118 172.7
[M+Na-2H]- 318.08200 164.9
[M]+ 297.10678 163.5
[M]- 297.10788 163.5
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