CID 478559

2-azanebularine

Structural Information

Molecular Formula
C9H11N5O4
SMILES
C1=C2C(=NN=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C9H11N5O4/c15-2-5-6(16)7(17)9(18-5)14-3-10-4-1-11-13-12-8(4)14/h1,3,5-7,9,15-17H,2H2/t5-,6-,7-,9-/m1/s1
InChIKey
FFBYHZNUCHPALZ-JXOAFFINSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazo[4,5-d]triazin-7-yloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

253.0811 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08838 153.3
[M+Na]+ 276.07032 164.0
[M-H]- 252.07382 152.9
[M+NH4]+ 271.11492 165.1
[M+K]+ 292.04426 161.2
[M+H-H2O]+ 236.07836 145.1
[M+HCOO]- 298.07930 167.8
[M+CH3COO]- 312.09495 164.2
[M+Na-2H]- 274.05577 156.0
[M]+ 253.08055 154.6
[M]- 253.08165 154.6
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