CID 66184

Lumiflavin

Structural Information

Molecular Formula
C13H12N4O2
SMILES
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C
InChI
InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)
InChIKey
KPDQZGKJTJRBGU-UHFFFAOYSA-N
Compound name
7,8,10-trimethylbenzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

123
References

1128
Patents

256.09604 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10332 159.0
[M+Na]+ 279.08526 176.0
[M+NH4]+ 274.12986 165.7
[M+K]+ 295.05920 169.0
[M-H]- 255.08876 159.7
[M+Na-2H]- 277.07071 164.4
[M]+ 256.09549 161.6
[M]- 256.09659 161.6
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.