CID 44259971

Herbacetin 7,4'-dimethyl ether 8-acetate

Structural Information

Molecular Formula
C19H16O8
SMILES
CC(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)OC)O)OC
InChI
InChI=1S/C19H16O8/c1-9(20)26-18-13(25-3)8-12(21)14-15(22)16(23)17(27-19(14)18)10-4-6-11(24-2)7-5-10/h4-8,21,23H,1-3H3
InChIKey
JMOATYWEVOXWOP-UHFFFAOYSA-N
Compound name
[3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.0845 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09178 181.0
[M+Na]+ 395.07372 191.1
[M-H]- 371.07722 188.3
[M+NH4]+ 390.11832 191.9
[M+K]+ 411.04766 190.5
[M+H-H2O]+ 355.08176 172.5
[M+HCOO]- 417.08270 199.9
[M+CH3COO]- 431.09835 215.4
[M+Na-2H]- 393.05917 183.8
[M]+ 372.08395 189.7
[M]- 372.08505 189.7
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.