CID 220524

5338-82-9

Structural Information

Molecular Formula

C₁₄H₁₀N₂OS₂

SMILES

C1=CC=C(C=C1)N=C2N(C(=O)SS2)C3=CC=CC=C3

InChI

InChI=1S/C14H10N2OS2/c17-14-16(12-9-5-2-6-10-12)13(18-19-14)15-11-7-3-1-4-8-11/h1-10H

InChIKey

DFLOFYMDVXZMON-UHFFFAOYSA-N

Compound name

4-phenyl-5-phenylimino-1,2,4-dithiazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 286.02347 Da
Monoisotopic Mass: 3.9
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]+	287.03075	161.2
[M+Na]+	309.01269	172.7
[M-H]-	285.01619	171.9
[M+NH4]+	304.05729	178.8
[M+K]+	324.98663	166.0
[M+H-H2O]+	269.02073	153.7
[M+HCOO]-	331.02167	179.3
[M+CH3COO]-	345.03732	174.4
[M+Na-2H]-	306.99814	163.4
[M]+	286.02292	164.3
[M]-	286.02402	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe