CID 88000

Convicine

Structural Information

Molecular Formula
C10H15N3O8
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(NC(=O)NC2=O)N)O)O)O)O
InChI
InChI=1S/C10H15N3O8/c11-7-6(8(18)13-10(19)12-7)21-9-5(17)4(16)3(15)2(1-14)20-9/h2-5,9,14-17H,1H2,(H4,11,12,13,18,19)/t2-,3-,4+,5-,9+/m1/s1
InChIKey
JJWYIMQKLTVAGZ-SYCVNHKBSA-N
Compound name
6-amino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

106
Patents

305.0859 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09318 166.3
[M+Na]+ 328.07512 173.9
[M+NH4]+ 323.11972 167.4
[M+K]+ 344.04906 174.7
[M-H]- 304.07862 164.4
[M+Na-2H]- 326.06057 164.7
[M]+ 305.08535 165.9
[M]- 305.08645 165.9
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