CID 135763231

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

511
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 161.6
[M+Na]+ 307.07612 172.6
[M-H]- 283.07962 160.5
[M+NH4]+ 302.12072 171.3
[M+K]+ 323.05006 168.8
[M+H-H2O]+ 267.08416 154.0
[M+HCOO]- 329.08510 175.3
[M+CH3COO]- 343.10075 171.5
[M+Na-2H]- 305.06157 162.4
[M]+ 284.08635 161.2
[M]- 284.08745 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.