CID 13888645

8-hydroxygalangin 7-methyl ether 8-butyrate

Structural Information

Molecular Formula
C20H18O7
SMILES
CCCC(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=CC=C3)O)OC
InChI
InChI=1S/C20H18O7/c1-3-7-14(22)26-19-13(25-2)10-12(21)15-16(23)17(24)18(27-20(15)19)11-8-5-4-6-9-11/h4-6,8-10,21,24H,3,7H2,1-2H3
InChIKey
HVJUOMVSARTYMR-UHFFFAOYSA-N
Compound name
(3,5-dihydroxy-7-methoxy-4-oxo-2-phenylchromen-8-yl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.10526 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 183.3
[M+Na]+ 393.09448 192.5
[M-H]- 369.09798 190.1
[M+NH4]+ 388.13908 194.2
[M+K]+ 409.06842 190.6
[M+H-H2O]+ 353.10252 174.8
[M+HCOO]- 415.10346 201.9
[M+CH3COO]- 429.11911 214.5
[M+Na-2H]- 391.07993 186.1
[M]+ 370.10471 190.5
[M]- 370.10581 190.5
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.