CID 44258359

8-demethylsideroxylin

Structural Information

Molecular Formula
C17H14O5
SMILES
CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC
InChI
InChI=1S/C17H14O5/c1-9-13(21-2)8-15-16(17(9)20)12(19)7-14(22-15)10-3-5-11(18)6-4-10/h3-8,18,20H,1-2H3
InChIKey
VQCXCCMCKDSXMQ-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

298.08414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 165.0
[M+Na]+ 321.07336 176.2
[M-H]- 297.07686 172.4
[M+NH4]+ 316.11796 179.3
[M+K]+ 337.04730 173.3
[M+H-H2O]+ 281.08140 157.5
[M+HCOO]- 343.08234 185.2
[M+CH3COO]- 357.09799 201.3
[M+Na-2H]- 319.05881 170.3
[M]+ 298.08359 169.8
[M]- 298.08469 169.8
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

No patent data available for this compound.