CID 6481656

Thiazolidin-3-yl(thiazolidin-4-yl)methanone

Structural Information

Molecular Formula

C₇H₁₂N₂OS₂

SMILES

C1CSCN1C(=O)C2CSCN2

InChI

InChI=1S/C7H12N2OS2/c10-7(6-3-12-4-8-6)9-1-2-11-5-9/h6,8H,1-5H2

InChIKey

QAKMVSQDMSDINT-UHFFFAOYSA-N

Compound name

1,3-thiazolidin-3-yl(1,3-thiazolidin-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.03911 Da
Monoisotopic Mass: 0.4
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]+	205.04639	144.7
[M+Na]+	227.02833	151.3
[M-H]-	203.03183	147.1
[M+NH4]+	222.07293	164.5
[M+K]+	243.00227	148.8
[M+H-H2O]+	187.03637	139.1
[M+HCOO]-	249.03731	152.4
[M+CH3COO]-	263.05296	155.7
[M+Na-2H]-	225.01378	140.3
[M]+	204.03856	140.7
[M]-	204.03966	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe