CID 53439937

4-(quinolin-4-yl)aniline

Structural Information

Molecular Formula

C₁₅H₁₂N₂

SMILES

C1=CC=C2C(=C1)C(=CC=N2)C3=CC=C(C=C3)N

InChI

InChI=1S/C15H12N2/c16-12-7-5-11(6-8-12)13-9-10-17-15-4-2-1-3-14(13)15/h1-10H,16H2

InChIKey

QNIYOKLZBFUQHS-UHFFFAOYSA-N

Compound name

4-quinolin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 220.10005 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]+	221.10733	147.9
[M+Na]+	243.08927	156.7
[M-H]-	219.09277	153.9
[M+NH4]+	238.13387	165.3
[M+K]+	259.06321	151.0
[M+H-H2O]+	203.09731	139.5
[M+HCOO]-	265.09825	170.8
[M+CH3COO]-	279.11390	160.6
[M+Na-2H]-	241.07472	156.8
[M]+	220.09950	145.7
[M]-	220.10060	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe