CID 22833571

Riboflavin reduced

Structural Information

Molecular Formula
C15H16N4O6
SMILES
C1=CC=C2C(=C1)N=C3C(=O)NC(=O)N=C3N2C[C@H]([C@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C15H16N4O6/c20-6-10(22)12(23)9(21)5-19-8-4-2-1-3-7(8)16-11-13(19)17-15(25)18-14(11)24/h1-4,9-10,12,20-23H,5-6H2,(H,18,24,25)/t9-,10-,12-/m1/s1
InChIKey
ATANIONNQLTUND-CKYFFXLPSA-N
Compound name
10-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

348.107 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11428 178.0
[M+Na]+ 371.09622 188.5
[M+NH4]+ 366.14082 180.2
[M+K]+ 387.07016 186.9
[M-H]- 347.09972 174.0
[M+Na-2H]- 369.08167 178.2
[M]+ 348.10645 177.7
[M]- 348.10755 177.7
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

patents stripe