CID 193516

5-amino-6-(d-ribitylamino)uracil

Structural Information

Molecular Formula
C9H16N4O6
SMILES
C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N
InChI
InChI=1S/C9H16N4O6/c10-5-7(12-9(19)13-8(5)18)11-1-3(15)6(17)4(16)2-14/h3-4,6,14-17H,1-2,10H2,(H3,11,12,13,18,19)/t3-,4+,6-/m0/s1
InChIKey
XKQZIXVJVUPORE-RPDRRWSUSA-N
Compound name
5-amino-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

30
References

191
Patents

276.107 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11428 158.5
[M+Na]+ 299.09622 163.2
[M-H]- 275.09972 151.7
[M+NH4]+ 294.14082 166.6
[M+K]+ 315.07016 159.9
[M+H-H2O]+ 259.10426 151.2
[M+HCOO]- 321.10520 171.3
[M+CH3COO]- 335.12085 192.1
[M+Na-2H]- 297.08167 157.8
[M]+ 276.10645 152.2
[M]- 276.10755 152.2
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