CID 488708

9-(methylthio)acridine

Structural Information

Molecular Formula

C₁₄H₁₁NS

SMILES

CSC1=C2C=CC=CC2=NC3=CC=CC=C31

InChI

InChI=1S/C14H11NS/c1-16-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,1H3

InChIKey

GDBUDPZRQABLBM-UHFFFAOYSA-N

Compound name

9-methylsulfanylacridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 225.06122 Da
Monoisotopic Mass: 4.0
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]+	226.06850	144.3
[M+Na]+	248.05044	155.9
[M-H]-	224.05394	149.2
[M+NH4]+	243.09504	164.5
[M+K]+	264.02438	150.2
[M+H-H2O]+	208.05848	137.6
[M+HCOO]-	270.05942	162.2
[M+CH3COO]-	284.07507	158.0
[M+Na-2H]-	246.03589	153.1
[M]+	225.06067	148.6
[M]-	225.06177	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe