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 176.8
[M+Na]+ 371.09622 184.2
[M-H]- 347.09972 171.1
[M+NH4]+ 366.14082 182.8
[M+K]+ 387.07016 179.3
[M+H-H2O]+ 331.10426 168.5
[M+HCOO]- 393.10520 184.3
[M+CH3COO]- 407.12085 204.3
[M+Na-2H]- 369.08167 180.5
[M]+ 348.10645 176.4
[M]- 348.10755 176.4
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