CID 37612

Ccris 4550

Structural Information

Molecular Formula

C₂₀H₁₇N₃

SMILES

CNC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C20H17N3/c1-21-14-10-12-15(13-11-14)22-20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,21H,1H3,(H,22,23)

InChIKey

SVIPDPNCURSLKO-UHFFFAOYSA-N

Compound name

4-N-acridin-9-yl-1-N-methylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 299.14224 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]+	300.149516	167.4
[M+Na]+	322.131458	176.3
[M-H]-	298.134964	174.8
[M+NH4]+	317.176063	182.5
[M+K]+	338.105398	169.0
[M+H-H2O]+	282.139500	157.5
[M+HCOO]-	344.140441	191.2
[M+CH3COO]-	358.156091	178.9
[M+Na-2H]-	320.116906	178.6
[M]+	299.14169142	167.7
[M]-	299.14278858	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe