CID 72748

73909-11-2

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₂S

SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)OC)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H24N2O2S/c1-4-22(5-2)13-12-21-15-10-11-16(24-3)20-18(15)19(23)14-8-6-7-9-17(14)25-20/h6-11,21H,4-5,12-13H2,1-3H3

InChIKey

FMJDWWAXDFAUJH-UHFFFAOYSA-N

Compound name

1-[2-(diethylamino)ethylamino]-4-methoxythioxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 356.15585 Da
Monoisotopic Mass: 3.6
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]+	357.163126	181.6
[M+Na]+	379.145068	189.9
[M-H]-	355.148574	188.3
[M+NH4]+	374.189673	197.6
[M+K]+	395.119008	185.0
[M+H-H2O]+	339.153110	173.2
[M+HCOO]-	401.154051	201.2
[M+CH3COO]-	415.169701	224.0
[M+Na-2H]-	377.130516	186.7
[M]+	356.15530142	190.0
[M]-	356.15639858	190.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.