CID 11026517

Riboflavin cyclic-4',5'-phosphate

Structural Information

Molecular Formula
C17H19N4O8P
SMILES
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@H]4COP(=O)(O4)O)O)O
InChI
InChI=1S/C17H19N4O8P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(24)20-17(25)19-15)5-11(22)14(23)12-6-28-30(26,27)29-12/h3-4,11-12,14,22-23H,5-6H2,1-2H3,(H,26,27)(H,20,24,25)/t11-,12+,14-/m0/s1
InChIKey
CVZKYDYRJQYYDJ-SCRDCRAPSA-N
Compound name
10-[(2S,3S)-2,3-dihydroxy-3-[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

25
Patents

438.09406 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.10134 198.9
[M+Na]+ 461.08328 209.1
[M+NH4]+ 456.12788 201.3
[M+K]+ 477.05722 209.0
[M-H]- 437.08678 198.6
[M+Na-2H]- 459.06873 197.9
[M]+ 438.09351 199.8
[M]- 438.09461 199.8
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