CID 96373

1-methylguanosine

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CN1C(=O)C2=C(N=C1N)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1
InChIKey
UTAIYTHAJQNQDW-KQYNXXCUSA-N
Compound name
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

62
References

10681
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 166.4
[M+Na]+ 320.09655 176.3
[M+NH4]+ 315.14115 169.8
[M+K]+ 336.07049 178.9
[M-H]- 296.10005 166.2
[M+Na-2H]- 318.08200 166.5
[M]+ 297.10678 167.2
[M]- 297.10788 167.2
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