CID 122631

3-deaza-2'-deoxyguanosine

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2C(=O)NC(=C3)N)CO)O
InChI
InChI=1S/C11H14N4O4/c12-8-1-5-10(11(18)14-8)15(4-13-5)9-2-6(17)7(3-16)19-9/h1,4,6-7,9,16-17H,2-3H2,(H3,12,14,18)/t6-,7+,9+/m0/s1
InChIKey
OMSOWQIWKOMDDW-LKEWCRSYSA-N
Compound name
6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

266.1015 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 156.6
[M+Na]+ 289.09072 166.7
[M-H]- 265.09422 158.4
[M+NH4]+ 284.13532 170.3
[M+K]+ 305.06466 162.9
[M+H-H2O]+ 249.09876 149.6
[M+HCOO]- 311.09970 173.8
[M+CH3COO]- 325.11535 167.8
[M+Na-2H]- 287.07617 158.1
[M]+ 266.10095 155.8
[M]- 266.10205 155.8
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