CID 135418983

Maybridge3_005724

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂S

SMILES

C=CCN=C1NC(=O)C(S1)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2S/c1-2-8-15-14-17-13(19)11(20-14)9-12(18)16-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,16,18)(H,15,17,19)

InChIKey

ISTHHJMECKJENY-UHFFFAOYSA-N

Compound name

2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 289.0885 Da
Monoisotopic Mass: 1.8
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]+	290.095776	166.5
[M+Na]+	312.077718	172.3
[M-H]-	288.081224	171.6
[M+NH4]+	307.122323	182.2
[M+K]+	328.051658	167.0
[M+H-H2O]+	272.085760	158.6
[M+HCOO]-	334.086701	184.5
[M+CH3COO]-	348.102351	201.5
[M+Na-2H]-	310.063166	166.0
[M]+	289.08795142	165.0
[M]-	289.08904858	165.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.