CID 81156

6649-36-1

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂S

SMILES

CC(=O)N=C1N(CCS1)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2S/c1-10(16)14-13-15(7-8-18-13)9-12(17)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3

InChIKey

KSMULDOXJNPNBD-UHFFFAOYSA-N

Compound name

N-(3-phenacyl-1,3-thiazolidin-2-ylidene)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 262.0776 Da
Monoisotopic Mass: 1.9
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]+	263.084876	160.3
[M+Na]+	285.066818	166.4
[M-H]-	261.070324	166.9
[M+NH4]+	280.111423	178.0
[M+K]+	301.040758	163.6
[M+H-H2O]+	245.074860	152.7
[M+HCOO]-	307.075801	178.1
[M+CH3COO]-	321.091451	196.4
[M+Na-2H]-	283.052266	159.4
[M]+	262.07705142	160.8
[M]-	262.07814858	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe