CID 11313622

Tideglusib

Structural Information

Molecular Formula

C₁₉H₁₄N₂O₂S

SMILES

C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2

InChIKey

PMJIHLSCWIDGMD-UHFFFAOYSA-N

Compound name

4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 84
References: 1509
Patents: 334.0776 Da
Monoisotopic Mass: 4.3
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]+	335.084876	176.7
[M+Na]+	357.066818	189.6
[M-H]-	333.070324	186.5
[M+NH4]+	352.111423	191.4
[M+K]+	373.040758	182.2
[M+H-H2O]+	317.074860	167.9
[M+HCOO]-	379.075801	196.0
[M+CH3COO]-	393.091451	189.2
[M+Na-2H]-	355.052266	179.8
[M]+	334.07705142	182.2
[M]-	334.07814858	182.2

Literature stripe

literature stripe

Patent stripe

patents stripe