CID 231822

14446-60-7

Structural Information

Molecular Formula

C₁₆H₁₆ClN₃O

SMILES

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

InChI

InChI=1S/C16H16ClN3O/c1-21-11-3-5-14-13(9-11)16(19-7-6-18)12-4-2-10(17)8-15(12)20-14/h2-5,8-9H,6-7,18H2,1H3,(H,19,20)

InChIKey

BBHBBFNAIGRZEZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 12
Patents: 301.09818 Da
Monoisotopic Mass: 3.2
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]+	302.10546	166.8
[M+Na]+	324.08740	177.7
[M-H]-	300.09090	170.9
[M+NH4]+	319.13200	183.5
[M+K]+	340.06134	171.0
[M+H-H2O]+	284.09544	159.4
[M+HCOO]-	346.09638	185.8
[M+CH3COO]-	360.11203	178.7
[M+Na-2H]-	322.07285	175.2
[M]+	301.09763	171.6
[M]-	301.09873	171.6

Literature stripe

literature stripe

Patent stripe

patents stripe