CID 44259650

8-c-methylvellokaempferol 3,5-dimethyl ether

Structural Information

Molecular Formula
C23H22O6
SMILES
CC1=C2C(=C(C3=C1OC(C3)C(=C)C)OC)C(=O)C(=C(O2)C4=CC=C(C=C4)O)OC
InChI
InChI=1S/C23H22O6/c1-11(2)16-10-15-19(28-16)12(3)20-17(22(15)26-4)18(25)23(27-5)21(29-20)13-6-8-14(24)9-7-13/h6-9,16,24H,1,10H2,2-5H3
InChIKey
NKFTUEUJDUEFQR-UHFFFAOYSA-N
Compound name
7-(4-hydroxyphenyl)-4,6-dimethoxy-9-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.14163 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14891 193.3
[M+Na]+ 417.13085 203.8
[M-H]- 393.13435 203.3
[M+NH4]+ 412.17545 205.8
[M+K]+ 433.10479 201.9
[M+H-H2O]+ 377.13889 186.4
[M+HCOO]- 439.13983 210.0
[M+CH3COO]- 453.15548 225.1
[M+Na-2H]- 415.11630 193.3
[M]+ 394.14108 201.5
[M]- 394.14218 201.5
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.