CID 44259962

6-prenylherbacetin 3,8-dimethyl ether

Structural Information

Molecular Formula
C22H22O7
SMILES
CC(=CCC1=C(C2=C(C(=C1O)OC)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)C
InChI
InChI=1S/C22H22O7/c1-11(2)5-10-14-16(24)15-18(26)22(28-4)19(12-6-8-13(23)9-7-12)29-20(15)21(27-3)17(14)25/h5-9,23-25H,10H2,1-4H3
InChIKey
WNCWVGUJEUECML-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13657 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14385 193.1
[M+Na]+ 421.12579 202.5
[M-H]- 397.12929 198.8
[M+NH4]+ 416.17039 202.6
[M+K]+ 437.09973 199.9
[M+H-H2O]+ 381.13383 184.8
[M+HCOO]- 443.13477 209.2
[M+CH3COO]- 457.15042 221.2
[M+Na-2H]- 419.11124 192.9
[M]+ 398.13602 200.0
[M]- 398.13712 200.0
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.