CID 42607539

Anthyllisone

Structural Information

Molecular Formula
C25H26O4
SMILES
CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)/C=C/C(=O)C3=C(C=C(C=C3)O)O)C
InChI
InChI=1S/C25H26O4/c1-16(2)5-7-18-13-17(14-19-11-12-25(3,4)29-24(18)19)6-10-22(27)21-9-8-20(26)15-23(21)28/h5-6,8-15,26,28H,7H2,1-4H3/b10-6+
InChIKey
UFUYLMBCDWVANM-UXBLZVDNSA-N
Compound name
(E)-1-(2,4-dihydroxyphenyl)-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1831 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19038 196.3
[M+Na]+ 413.17232 203.4
[M-H]- 389.17582 201.9
[M+NH4]+ 408.21692 208.3
[M+K]+ 429.14626 198.4
[M+H-H2O]+ 373.18036 188.6
[M+HCOO]- 435.18130 210.5
[M+CH3COO]- 449.19695 220.5
[M+Na-2H]- 411.15777 196.0
[M]+ 390.18255 198.1
[M]- 390.18365 198.1
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.