CID 135742509

3'-o-methylguanosine

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C11H15N5O5/c1-20-7-4(2-17)21-10(6(7)18)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
UYARPHAXAJAZLU-KQYNXXCUSA-N
Compound name
2-amino-9-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

192
Patents

297.10733 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 164.5
[M+Na]+ 320.09655 175.1
[M-H]- 296.10005 165.5
[M+NH4]+ 315.14115 175.7
[M+K]+ 336.07049 171.8
[M+H-H2O]+ 280.10459 157.0
[M+HCOO]- 342.10553 180.4
[M+CH3COO]- 356.12118 197.9
[M+Na-2H]- 318.08200 165.2
[M]+ 297.10678 166.0
[M]- 297.10788 166.0
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