CID 135473713

Rhodanine, 3-salicylideneamino-

Structural Information

Molecular Formula

C₁₀H₈N₂O₂S₂

SMILES

C1C(=O)N(C(=S)S1)/N=C/C2=CC=CC=C2O

InChI

InChI=1S/C10H8N2O2S2/c13-8-4-2-1-3-7(8)5-11-12-9(14)6-16-10(12)15/h1-5,13H,6H2/b11-5+

InChIKey

MFYPPBDQQGTAFD-VZUCSPMQSA-N

Compound name

3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 252.00272 Da
Monoisotopic Mass: 2.1
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]+	253.01000	152.6
[M+Na]+	274.99194	162.1
[M-H]-	250.99544	158.3
[M+NH4]+	270.03654	170.8
[M+K]+	290.96588	156.4
[M+H-H2O]+	234.99998	146.4
[M+HCOO]-	297.00092	166.1
[M+CH3COO]-	311.01657	190.9
[M+Na-2H]-	272.97739	151.8
[M]+	252.00217	153.2
[M]-	252.00327	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe