CID 5510

Tolnaftate

Structural Information

Molecular Formula

C₁₉H₁₇NOS

SMILES

CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3

InChIKey

FUSNMLFNXJSCDI-UHFFFAOYSA-N

Compound name

O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 305
References: 23865
Patents: 307.1031 Da
Monoisotopic Mass: 5.5
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]+	308.11038	169.3
[M+Na]+	330.09232	184.6
[M+NH4]+	325.13692	179.6
[M+K]+	346.06626	173.7
[M-H]-	306.09582	176.3
[M+Na-2H]-	328.07777	179.4
[M]+	307.10255	174.2
[M]-	307.10365	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe