CID 42607588

Flemiwallichin b

Structural Information

Molecular Formula
C25H26O6
SMILES
CC(=CCCC1(C=CC2=C(O1)C=C(C(=C2O)C(=O)/C=C/C3=C(C=CC(=C3)O)O)O)C)C
InChI
InChI=1S/C25H26O6/c1-15(2)5-4-11-25(3)12-10-18-22(31-25)14-21(29)23(24(18)30)20(28)8-6-16-13-17(26)7-9-19(16)27/h5-10,12-14,26-27,29-30H,4,11H2,1-3H3/b8-6+
InChIKey
XCEZBQHYBPOJIV-SOFGYWHQSA-N
Compound name
(E)-1-[5,7-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-(2,5-dihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.17294 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18022 202.8
[M+Na]+ 445.16216 209.3
[M-H]- 421.16566 205.9
[M+NH4]+ 440.20676 212.1
[M+K]+ 461.13610 204.7
[M+H-H2O]+ 405.17020 195.4
[M+HCOO]- 467.17114 214.2
[M+CH3COO]- 481.18679 222.4
[M+Na-2H]- 443.14761 201.4
[M]+ 422.17239 204.4
[M]- 422.17349 204.4
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.