CID 135415496

27052-16-0

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

CC1=CC(=CC=C1)N=C2NC(=O)CS2

InChI

InChI=1S/C10H10N2OS/c1-7-3-2-4-8(5-7)11-10-12-9(13)6-14-10/h2-5H,6H2,1H3,(H,11,12,13)

InChIKey

GFQLBTVJHQTLFT-UHFFFAOYSA-N

Compound name

2-(3-methylphenyl)imino-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2
Patents: 206.05139 Da
Monoisotopic Mass: 2.3
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]+	207.05867	143.3
[M+Na]+	229.04061	151.8
[M-H]-	205.04411	149.2
[M+NH4]+	224.08521	163.2
[M+K]+	245.01455	147.7
[M+H-H2O]+	189.04865	136.6
[M+HCOO]-	251.04959	162.3
[M+CH3COO]-	265.06524	183.7
[M+Na-2H]-	227.02606	144.9
[M]+	206.05084	141.9
[M]-	206.05194	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe