CID 371141

Nsc645145

Structural Information

Molecular Formula

C₁₉H₁₄N₂S

SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=CC=C(C=C4)N

InChI

InChI=1S/C19H14N2S/c20-13-9-11-14(12-10-13)22-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12H,20H2

InChIKey

JYBPGFSVVDVWIC-UHFFFAOYSA-N

Compound name

4-acridin-9-ylsulfanylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 302.08777 Da
Monoisotopic Mass: 4.9
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]+	303.09505	165.9
[M+Na]+	325.07699	176.7
[M-H]-	301.08049	173.0
[M+NH4]+	320.12159	181.8
[M+K]+	341.05093	168.6
[M+H-H2O]+	285.08503	157.3
[M+HCOO]-	347.08597	183.7
[M+CH3COO]-	361.10162	177.7
[M+Na-2H]-	323.06244	173.7
[M]+	302.08722	167.9
[M]-	302.08832	167.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.