CID 135406950

2'-o-methylguanosine

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O
InChI
InChI=1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
InChIKey
OVYNGSFVYRPRCG-KQYNXXCUSA-N
Compound name
2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

7083
Patents

297.10733 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 165.7
[M+Na]+ 320.09655 175.2
[M+NH4]+ 315.14115 169.0
[M+K]+ 336.07049 177.6
[M-H]- 296.10005 165.3
[M+Na-2H]- 318.08200 166.1
[M]+ 297.10678 166.3
[M]- 297.10788 166.3
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