CID 9992174

(4-aminophenyl)naphthylketone

Structural Information

Molecular Formula

C₁₇H₁₃NO

SMILES

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

InChI

InChI=1S/C17H13NO/c18-14-10-8-13(9-11-14)17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,18H2

InChIKey

UGSYXNDKIWVIRW-UHFFFAOYSA-N

Compound name

(4-aminophenyl)-naphthalen-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 247.09972 Da
Monoisotopic Mass: 3.8
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]+	248.106996	155.1
[M+Na]+	270.088938	162.9
[M-H]-	246.092444	162.4
[M+NH4]+	265.133543	172.6
[M+K]+	286.062878	157.6
[M+H-H2O]+	230.096980	147.3
[M+HCOO]-	292.097921	178.1
[M+CH3COO]-	306.113571	167.5
[M+Na-2H]-	268.074386	161.6
[M]+	247.09917142	153.2
[M]-	247.10026858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe