CID 2760169

1049748-42-6

Structural Information

Molecular Formula

C₁₆H₁₃N

SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)N

InChI

InChI=1S/C16H13N/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,17H2

InChIKey

OGHOZWNRKYYYHY-UHFFFAOYSA-N

Compound name

4-naphthalen-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 367
Patents: 219.1048 Da
Monoisotopic Mass: 4.1
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]+	220.112076	147.5
[M+Na]+	242.094018	155.9
[M-H]-	218.097524	154.9
[M+NH4]+	237.138623	166.4
[M+K]+	258.067958	150.3
[M+H-H2O]+	202.102060	140.1
[M+HCOO]-	264.103001	171.5
[M+CH3COO]-	278.118651	160.6
[M+Na-2H]-	240.079466	155.8
[M]+	219.10425142	145.2
[M]-	219.10534858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe