CID 153827

1,5-pentanediamine, n-(6-chloro-2-methoxy-9-acridinyl)-

Structural Information

Molecular Formula

C₁₉H₂₂ClN₃O

SMILES

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCN

InChI

InChI=1S/C19H22ClN3O/c1-24-14-6-8-17-16(12-14)19(22-10-4-2-3-9-21)15-7-5-13(20)11-18(15)23-17/h5-8,11-12H,2-4,9-10,21H2,1H3,(H,22,23)

InChIKey

MEANIOWIRZRACS-UHFFFAOYSA-N

Compound name

N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 343.14514 Da
Monoisotopic Mass: 4.2
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]+	344.152416	180.6
[M+Na]+	366.134358	190.1
[M-H]-	342.137864	184.0
[M+NH4]+	361.178963	195.4
[M+K]+	382.108298	182.7
[M+H-H2O]+	326.142400	172.4
[M+HCOO]-	388.143341	198.4
[M+CH3COO]-	402.158991	191.1
[M+Na-2H]-	364.119806	187.3
[M]+	343.14459142	186.3
[M]-	343.14568858	186.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.