CID 701017

Usaf k-1451

Structural Information

Molecular Formula

C₁₈H₁₄N₂OS

SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H14N2OS/c21-17(14-8-2-1-3-9-14)20-18(22)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,(H2,19,20,21,22)

InChIKey

JYZHKZNALZZENK-UHFFFAOYSA-N

Compound name

N-(naphthalen-1-ylcarbamothioyl)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 306.08267 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]+	307.08995	167.9
[M+Na]+	329.07189	173.8
[M-H]-	305.07539	175.0
[M+NH4]+	324.11649	183.2
[M+K]+	345.04583	167.8
[M+H-H2O]+	289.07993	159.9
[M+HCOO]-	351.08087	186.2
[M+CH3COO]-	365.09652	178.5
[M+Na-2H]-	327.05734	173.0
[M]+	306.08212	167.1
[M]-	306.08322	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe