CID 14080393

1,5-dihydroriboflavin

Structural Information

Molecular Formula
C17H22N4O6
SMILES
CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C17H22N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,18,22-25H,5-6H2,1-2H3,(H2,19,20,26,27)/t11-,12+,14-/m0/s1
InChIKey
SGSVWAYHEWEQET-SCRDCRAPSA-N
Compound name
7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,5-dihydrobenzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

378.15393 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16121 189.4
[M+Na]+ 401.14315 195.8
[M-H]- 377.14665 181.1
[M+NH4]+ 396.18775 193.3
[M+K]+ 417.11709 189.7
[M+H-H2O]+ 361.15119 181.9
[M+HCOO]- 423.15213 191.7
[M+CH3COO]- 437.16778 209.9
[M+Na-2H]- 399.12860 188.5
[M]+ 378.15338 185.7
[M]- 378.15448 185.7
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

No patent data available for this compound.