CID 169501860

Diosmin metabolite k

Structural Information

Molecular Formula
C17H12O5
SMILES
COC1=CC=C(C#C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O
InChI
InChI=1S/C17H12O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3,5,7-9,18H,1-2H3
InChIKey
FPKDACANGPKHFT-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-2-(4-methoxycyclohexa-1,3-dien-5-yn-1-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

296.06848 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 164.1
[M+Na]+ 319.05770 174.8
[M-H]- 295.06120 172.4
[M+NH4]+ 314.10230 178.8
[M+K]+ 335.03164 172.6
[M+H-H2O]+ 279.06574 156.1
[M+HCOO]- 341.06668 185.8
[M+CH3COO]- 355.08233 202.2
[M+Na-2H]- 317.04315 170.6
[M]+ 296.06793 170.2
[M]- 296.06903 170.2
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.