CID 22274848

Gamma-diasarone

Structural Information

Molecular Formula

C₂₄H₃₂O₆

SMILES

CCC1C(C(C2=C1C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C

InChI

InChI=1S/C24H32O6/c1-9-14-13(2)21(15-10-17(26-4)18(27-5)11-16(15)25-3)23-22(14)19(28-6)12-20(29-7)24(23)30-8/h10-14,21H,9H2,1-8H3

InChIKey

ZPOQFZFDKXZAGL-UHFFFAOYSA-N

Compound name

1-ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 416.21988 Da
Monoisotopic Mass: 5.2
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]+	417.227156	200.1
[M+Na]+	439.209098	209.5
[M-H]-	415.212604	208.8
[M+NH4]+	434.253703	214.7
[M+K]+	455.183038	207.5
[M+H-H2O]+	399.217140	192.6
[M+HCOO]-	461.218081	220.9
[M+CH3COO]-	475.233731	233.0
[M+Na-2H]-	437.194546	196.8
[M]+	416.21933142	212.9
[M]-	416.22042858	212.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe