CID 453996

Tb6:ribopyrimidop

Structural Information

Molecular Formula
C13H13N5O5
SMILES
C1=CN2C=NC3=C(C2=NC1=O)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C13H13N5O5/c19-3-6-9(21)10(22)13(23-6)18-5-14-8-11(18)15-4-17-2-1-7(20)16-12(8)17/h1-2,4-6,9-10,13,19,21-22H,3H2/t6-,9-,10-,13-/m1/s1
InChIKey
FABPIPZLUAHCLZ-ZRFIDHNTSA-N
Compound name
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimido[2,1-f]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.09167 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09895 170.4
[M+Na]+ 342.08089 182.3
[M-H]- 318.08439 171.6
[M+NH4]+ 337.12549 180.7
[M+K]+ 358.05483 178.2
[M+H-H2O]+ 302.08893 162.3
[M+HCOO]- 364.08987 183.5
[M+CH3COO]- 378.10552 180.6
[M+Na-2H]- 340.06634 172.3
[M]+ 319.09112 173.6
[M]- 319.09222 173.6
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.