CID 135407735

8-methoxy-2'-deoxyguanosine

Structural Information

Molecular Formula
C11H15N5O5
SMILES
COC1=NC2=C(N1[C@H]3C[C@@H]([C@H](O3)CO)O)N=C(NC2=O)N
InChI
InChI=1S/C11H15N5O5/c1-20-11-13-7-8(14-10(12)15-9(7)19)16(11)6-2-4(18)5(3-17)21-6/h4-6,17-18H,2-3H2,1H3,(H3,12,14,15,19)/t4-,5+,6+/m0/s1
InChIKey
WNQRNUKAULNFLF-KVQBGUIXSA-N
Compound name
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methoxy-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
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 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