CID 2818921

Maybridge4_002301

Structural Information

Molecular Formula

C₁₇H₁₃NO₃S₂

SMILES

COC1=CC=CC(=C1)C(=O)C=C2NC(=O)C(=CC3=CC=CS3)S2

InChI

InChI=1S/C17H13NO3S2/c1-21-12-5-2-4-11(8-12)14(19)10-16-18-17(20)15(23-16)9-13-6-3-7-22-13/h2-10H,1H3,(H,18,20)

InChIKey

RSOPGONWFMZAKH-UHFFFAOYSA-N

Compound name

2-[2-(3-methoxyphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 343.0337 Da
Monoisotopic Mass: 3.4
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]+	344.040976	180.3
[M+Na]+	366.022918	191.9
[M-H]-	342.026424	189.3
[M+NH4]+	361.067523	196.6
[M+K]+	381.996858	184.4
[M+H-H2O]+	326.030960	174.5
[M+HCOO]-	388.031901	195.6
[M+CH3COO]-	402.047551	192.1
[M+Na-2H]-	364.008366	176.6
[M]+	343.03315142	185.3
[M]-	343.03424858	185.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.