CID 148282

Icr 391 dihydrochloride

Structural Information

Molecular Formula

C₁₉H₂₂ClN₃O

SMILES

COC1=CC=CC2=C(C3=CC=CC=C3N=C21)NCCCNCCCl

InChI

InChI=1S/C19H22ClN3O/c1-24-17-9-4-7-15-18(22-12-5-11-21-13-10-20)14-6-2-3-8-16(14)23-19(15)17/h2-4,6-9,21H,5,10-13H2,1H3,(H,22,23)

InChIKey

YGGULVUHCHQZKZ-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-N'-(4-methoxyacridin-9-yl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 343.14514 Da
Monoisotopic Mass: 4.6
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]+	344.152416	178.9
[M+Na]+	366.134358	187.4
[M-H]-	342.137864	182.4
[M+NH4]+	361.178963	193.7
[M+K]+	382.108298	180.3
[M+H-H2O]+	326.142400	170.4
[M+HCOO]-	388.143341	197.4
[M+CH3COO]-	402.158991	189.3
[M+Na-2H]-	364.119806	187.5
[M]+	343.14459142	185.2
[M]-	343.14568858	185.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.