CID 217043

38044-63-2

Structural Information

Molecular Formula

C₂₇H₃₀N₂O₂S

SMILES

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H30N2O2S/c1-27(2)22-9-5-7-11-24(22)29(25-12-8-6-10-23(25)27)26(30)32-18-17-28(3)19-20-13-15-21(31-4)16-14-20/h5-16H,17-19H2,1-4H3

InChIKey

ZEBKUFOXMUTVNE-UHFFFAOYSA-N

Compound name

S-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl] 9,9-dimethylacridine-10-carbothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 446.2028 Da
Monoisotopic Mass: 6.2
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]+	447.210076	209.6
[M+Na]+	469.192018	215.6
[M-H]-	445.195524	216.5
[M+NH4]+	464.236623	221.9
[M+K]+	485.165958	210.0
[M+H-H2O]+	429.200060	198.9
[M+HCOO]-	491.201001	221.9
[M+CH3COO]-	505.216651	217.5
[M+Na-2H]-	467.177466	211.4
[M]+	446.20225142	215.4
[M]-	446.20334858	215.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.