CID 135501934

N2-methylguanosine

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CNC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O5/c1-12-11-14-8-5(9(20)15-11)13-3-16(8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15,20)/t4-,6-,7-,10-/m1/s1
InChIKey
SLEHROROQDYRAW-KQYNXXCUSA-N
Compound name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

193
References

10525
Patents

297.10733 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 165.9
[M+Na]+ 320.09655 175.2
[M+NH4]+ 315.14115 169.0
[M+K]+ 336.07049 177.6
[M-H]- 296.10005 165.2
[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