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]+ 385.12818 187.6
[M+Na]+ 407.11012 196.0
[M-H]- 383.11362 194.2
[M+NH4]+ 402.15472 197.8
[M+K]+ 423.08406 194.6
[M+H-H2O]+ 367.11816 179.1
[M+HCOO]- 429.11910 204.8
[M+CH3COO]- 443.13475 218.5
[M+Na-2H]- 405.09557 188.7
[M]+ 384.12035 194.5
[M]- 384.12145 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.