CID 124076

Acridine, 9-(ethylthio)-

Structural Information

Molecular Formula

C₁₅H₁₃NS

SMILES

CCSC1=C2C=CC=CC2=NC3=CC=CC=C31

InChI

InChI=1S/C15H13NS/c1-2-17-15-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,2H2,1H3

InChIKey

OFRJTVYINZUNNB-UHFFFAOYSA-N

Compound name

9-ethylsulfanylacridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 239.07687 Da
Monoisotopic Mass: 4.4
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]+	240.08415	148.9
[M+Na]+	262.06609	160.0
[M-H]-	238.06959	153.6
[M+NH4]+	257.11069	168.5
[M+K]+	278.04003	154.1
[M+H-H2O]+	222.07413	141.9
[M+HCOO]-	284.07507	166.4
[M+CH3COO]-	298.09072	162.2
[M+Na-2H]-	260.05154	157.2
[M]+	239.07632	153.5
[M]-	239.07742	153.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.