CID 37395

Icr 378

Structural Information

Molecular Formula

C₁₉H₂₁ClN₂OS

SMILES

COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCSCCCl

InChI

InChI=1S/C19H21ClN2OS/c1-23-14-7-8-18-16(13-14)19(21-10-4-11-24-12-9-20)15-5-2-3-6-17(15)22-18/h2-3,5-8,13H,4,9-12H2,1H3,(H,21,22)

InChIKey

JKZAUMXLZORDAZ-UHFFFAOYSA-N

Compound name

N-[3-(2-chloroethylsulfanyl)propyl]-2-methoxyacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 360.10632 Da
Monoisotopic Mass: 5.1
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]+	361.113596	179.6
[M+Na]+	383.095538	189.2
[M-H]-	359.099044	183.3
[M+NH4]+	378.140143	194.8
[M+K]+	399.069478	181.4
[M+H-H2O]+	343.103580	172.1
[M+HCOO]-	405.104521	192.2
[M+CH3COO]-	419.120171	190.1
[M+Na-2H]-	381.080986	185.5
[M]+	360.10577142	188.7
[M]-	360.10686858	188.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.