CID 135763231

8-azaguanosine

Structural Information

Molecular Formula
C9H12N6O5
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)N=N2)O)O)O
InChI
InChI=1S/C9H12N6O5/c10-9-11-6-3(7(19)12-9)13-14-15(6)8-5(18)4(17)2(1-16)20-8/h2,4-5,8,16-18H,1H2,(H3,10,11,12,19)/t2-,4-,5-,8-/m1/s1
InChIKey
QOVIBFFZCVPCEI-UMMCILCDSA-N
Compound name
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

565
Patents

284.0869 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09418 161.8
[M+Na]+ 307.07612 171.0
[M+NH4]+ 302.12072 164.3
[M+K]+ 323.05006 174.5
[M-H]- 283.07962 160.2
[M+Na-2H]- 305.06157 161.6
[M]+ 284.08635 161.9
[M]- 284.08745 161.9
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