CID 42607513

Flemiwallichin d

Structural Information

Molecular Formula
C25H26O5
SMILES
CC(=CCCC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=C(C=CC(=C3)O)O)C)C
InChI
InChI=1S/C25H26O5/c1-16(2)5-4-13-25(3)14-12-20-23(30-25)11-8-19(24(20)29)22(28)9-6-17-15-18(26)7-10-21(17)27/h5-12,14-15,26-27,29H,4,13H2,1-3H3/b9-6+
InChIKey
CPEVXYSYBVNBGN-RMKNXTFCSA-N
Compound name
(E)-3-(2,5-dihydroxyphenyl)-1-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.178 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18528 200.0
[M+Na]+ 429.16722 206.3
[M-H]- 405.17072 204.1
[M+NH4]+ 424.21182 210.5
[M+K]+ 445.14116 201.4
[M+H-H2O]+ 389.17526 192.3
[M+HCOO]- 451.17620 212.7
[M+CH3COO]- 465.19185 220.6
[M+Na-2H]- 427.15267 199.4
[M]+ 406.17745 201.4
[M]- 406.17855 201.4
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.