CID 135433495

2'-c-methylguanosine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

34
References

954
Patents

297.10733 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 163.8
[M+Na]+ 320.09655 175.0
[M-H]- 296.10005 163.9
[M+NH4]+ 315.14115 176.4
[M+K]+ 336.07049 171.3
[M+H-H2O]+ 280.10459 157.4
[M+HCOO]- 342.10553 178.3
[M+CH3COO]- 356.12118 174.2
[M+Na-2H]- 318.08200 165.6
[M]+ 297.10678 164.1
[M]- 297.10788 164.1
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