CID 672

Riboflavin ep impurity c

Structural Information

Molecular Formula
C13H18N4O6
SMILES
CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)C
InChI
InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)
InChIKey
SXDXRJZUAJBNFL-UHFFFAOYSA-N
Compound name
6,7-dimethyl-8-(2,3,4,5-tetrahydroxypentyl)pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

53
References

203
Patents

326.12262 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12990 174.3
[M+Na]+ 349.11184 183.6
[M+NH4]+ 344.15644 175.5
[M+K]+ 365.08578 183.2
[M-H]- 325.11534 169.1
[M+Na-2H]- 347.09729 173.3
[M]+ 326.12207 173.4
[M]- 326.12317 173.4
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

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