CID 42607931

Leachianone e

Structural Information

Molecular Formula
C25H28O5
SMILES
CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C(=C)C)C
InChI
InChI=1S/C25H28O5/c1-14(2)5-6-17(15(3)4)11-19-20(27)12-21(28)24-22(29)13-23(30-25(19)24)16-7-9-18(26)10-8-16/h5,7-10,12,17,23,26-28H,3,6,11,13H2,1-2,4H3
InChIKey
IMVVTJRFNWPNCQ-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

408.19366 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20094 200.1
[M+Na]+ 431.18288 204.8
[M-H]- 407.18638 203.8
[M+NH4]+ 426.22748 208.5
[M+K]+ 447.15682 200.5
[M+H-H2O]+ 391.19092 192.4
[M+HCOO]- 453.19186 210.4
[M+CH3COO]- 467.20751 224.6
[M+Na-2H]- 429.16833 195.5
[M]+ 408.19311 199.6
[M]- 408.19421 199.6
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

patents stripe