CID 217023

Mo 1289

Structural Information

Molecular Formula

C₂₆H₂₈N₂OS

SMILES

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

InChI

InChI=1S/C26H28N2OS/c1-26(2)21-13-7-9-15-23(21)28(24-16-10-8-14-22(24)26)25(29)30-18-17-27(3)19-20-11-5-4-6-12-20/h4-16H,17-19H2,1-3H3

InChIKey

CIURVUXRLOHRRB-UHFFFAOYSA-N

Compound name

S-[2-[benzyl(methyl)amino]ethyl] 9,9-dimethylacridine-10-carbothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 416.19223 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]+	417.199506	201.7
[M+Na]+	439.181448	207.7
[M-H]-	415.184954	208.6
[M+NH4]+	434.226053	215.2
[M+K]+	455.155388	201.5
[M+H-H2O]+	399.189490	191.2
[M+HCOO]-	461.190431	214.4
[M+CH3COO]-	475.206081	210.0
[M+Na-2H]-	437.166896	204.4
[M]+	416.19168142	205.4
[M]-	416.19277858	205.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.