CID 21591150

Gancaonin j

Structural Information

Molecular Formula
C25H30O4
SMILES
CC(=CCC1=CC(=C(C(=C1O)CC=C(C)C)O)C(=O)CCC2=CC=C(C=C2)O)C
InChI
InChI=1S/C25H30O4/c1-16(2)5-10-19-15-22(25(29)21(24(19)28)13-6-17(3)4)23(27)14-9-18-7-11-20(26)12-8-18/h5-8,11-12,15,26,28-29H,9-10,13-14H2,1-4H3
InChIKey
DTKWEYKKOWIPTN-UHFFFAOYSA-N
Compound name
1-[2,4-dihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.21442 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.22170 198.1
[M+Na]+ 417.20364 202.9
[M-H]- 393.20714 200.4
[M+NH4]+ 412.24824 207.7
[M+K]+ 433.17758 196.8
[M+H-H2O]+ 377.21168 190.5
[M+HCOO]- 439.21262 212.5
[M+CH3COO]- 453.22827 221.0
[M+Na-2H]- 415.18909 192.0
[M]+ 394.21387 199.1
[M]- 394.21497 199.1
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.