CID 3018799

79044-56-7

Structural Information

Molecular Formula

C₁₉H₂₀OS

SMILES

CC(C)C1=CC2=C(C(=C1)C(C)C)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H20OS/c1-11(2)13-9-15(12(3)4)19-16(10-13)18(20)14-7-5-6-8-17(14)21-19/h5-12H,1-4H3

InChIKey

BRKORVYTKKLNKX-UHFFFAOYSA-N

Compound name

2,4-di(propan-2-yl)thioxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21906
Patents: 296.12347 Da
Monoisotopic Mass: 5.8
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]+	297.13075	165.6
[M+Na]+	319.11269	175.7
[M-H]-	295.11619	171.7
[M+NH4]+	314.15729	184.3
[M+K]+	335.08663	170.3
[M+H-H2O]+	279.12073	159.0
[M+HCOO]-	341.12167	181.0
[M+CH3COO]-	355.13732	178.0
[M+Na-2H]-	317.09814	168.3
[M]+	296.12292	171.4
[M]-	296.12402	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe