CID 3034543

35778-58-6

Structural Information

Molecular Formula

C₁₄H₁₆N₂OS₂

SMILES

CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=S)S2

InChI

InChI=1S/C14H16N2OS2/c1-3-16(4-2)11-7-5-10(6-8-11)9-12-13(17)15-14(18)19-12/h5-9H,3-4H2,1-2H3,(H,15,17,18)

InChIKey

CWQLQYNQWCTDQF-UHFFFAOYSA-N

Compound name

5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 304
Patents: 292.0704 Da
Monoisotopic Mass: 3.7
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]+	293.07768	165.9
[M+Na]+	315.05962	173.5
[M-H]-	291.06312	171.0
[M+NH4]+	310.10422	182.6
[M+K]+	331.03356	167.0
[M+H-H2O]+	275.06766	159.2
[M+HCOO]-	337.06860	176.8
[M+CH3COO]-	351.08425	201.4
[M+Na-2H]-	313.04507	162.2
[M]+	292.06985	166.0
[M]-	292.07095	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe