CID 45360154

Ns00097402

Structural Information

Molecular Formula

C₂₅H₂₈O₄

SMILES

CC(=CCC1=CC2=C(C(=C1O)CC=C(C)C)OCC3C2OC4=C3C=CC(=C4)O)C

InChI

InChI=1S/C25H28O4/c1-14(2)5-7-16-11-20-24(19(23(16)27)9-6-15(3)4)28-13-21-18-10-8-17(26)12-22(18)29-25(20)21/h5-6,8,10-12,21,25-27H,7,9,13H2,1-4H3

InChIKey

IWTNSIWIBPNECM-UHFFFAOYSA-N

Compound name

2,4-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 392.19876 Da
Monoisotopic Mass: 6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	393.206036	199.3
[M+Na]+	415.187978	206.0
[M-H]-	391.191484	203.8
[M+NH4]+	410.232583	212.1
[M+K]+	431.161918	201.6
[M+H-H2O]+	375.196020	193.2
[M+HCOO]-	437.196961	209.4
[M+CH3COO]-	451.212611	223.2
[M+Na-2H]-	413.173426	197.4
[M]+	392.19821142	201.6
[M]-	392.19930858	201.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.