CID 2376165

748778-11-2

Structural Information

Molecular Formula

C₁₀H₁₁N₃S₂

SMILES

CN1C(=NCC2=CC=CC=C2)SC(=S)N1

InChI

InChI=1S/C10H11N3S2/c1-13-9(15-10(14)12-13)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14)

InChIKey

OEFRFEJBTZCUGH-UHFFFAOYSA-N

Compound name

5-benzylimino-4-methyl-1,3,4-thiadiazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 237.03944 Da
Monoisotopic Mass: 2.6
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]+	238.04672	147.6
[M+Na]+	260.02866	159.0
[M-H]-	236.03216	152.6
[M+NH4]+	255.07326	165.7
[M+K]+	276.00260	152.2
[M+H-H2O]+	220.03670	140.8
[M+HCOO]-	282.03764	162.4
[M+CH3COO]-	296.05329	160.4
[M+Na-2H]-	258.01411	148.6
[M]+	237.03889	149.1
[M]-	237.03999	149.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.