CID 14583401

8-hydroxygalangin 3-methyl ether 8-methylbutyrate

Structural Information

Molecular Formula
C21H20O7
SMILES
CCC(C)C(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=CC=C3)O)O
InChI
InChI=1S/C21H20O7/c1-4-11(2)21(25)28-18-14(23)10-13(22)15-16(24)20(26-3)17(27-19(15)18)12-8-6-5-7-9-12/h5-11,22-23H,4H2,1-3H3
InChIKey
SENDIFWHFHNMGP-UHFFFAOYSA-N
Compound name
(5,7-dihydroxy-3-methoxy-4-oxo-2-phenylchromen-8-yl) 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1209 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.128176 187.6
[M+Na]+ 407.110118 196.0
[M-H]- 383.113624 194.2
[M+NH4]+ 402.154723 197.8
[M+K]+ 423.084058 194.6
[M+H-H2O]+ 367.118160 179.1
[M+HCOO]- 429.119101 204.8
[M+CH3COO]- 443.134751 218.5
[M+Na-2H]- 405.095566 188.7
[M]+ 384.12035142 194.5
[M]- 384.12144858 194.5
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.