CID 3044922

Brn 1323257

Structural Information

Molecular Formula

C₂₂H₃₀O₂S

SMILES

CCCCCC(C)C(C)C1=CC(=C2C3=C(C(OC2=C1)(C)C)SC=C3)O

InChI

InChI=1S/C22H30O2S/c1-6-7-8-9-14(2)15(3)16-12-18(23)20-17-10-11-25-21(17)22(4,5)24-19(20)13-16/h10-15,23H,6-9H2,1-5H3

InChIKey

BQUDFNSJTOYURU-UHFFFAOYSA-N

Compound name

4,4-dimethyl-7-(3-methyloctan-2-yl)thieno[2,3-c]chromen-9-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 358.19666 Da
Monoisotopic Mass: 7.1
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]+	359.203936	187.8
[M+Na]+	381.185878	194.9
[M-H]-	357.189384	192.1
[M+NH4]+	376.230483	205.9
[M+K]+	397.159818	190.9
[M+H-H2O]+	341.193920	182.8
[M+HCOO]-	403.194861	197.9
[M+CH3COO]-	417.210511	216.5
[M+Na-2H]-	379.171326	186.4
[M]+	358.19611142	194.0
[M]-	358.19720858	194.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.