CID 198492

Brn 1223869

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₂S₂

SMILES

CN1CCSC1=NC(=O)CCC(=O)N=C2N(CCS2)C

InChI

InChI=1S/C12H18N4O2S2/c1-15-5-7-19-11(15)13-9(17)3-4-10(18)14-12-16(2)6-8-20-12/h3-8H2,1-2H3

InChIKey

GWDKUUJFCRVEMQ-UHFFFAOYSA-N

Compound name

N,N'-bis(3-methyl-1,3-thiazolidin-2-ylidene)butanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 314.08713 Da
Monoisotopic Mass: 0.6
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]+	315.09441	174.5
[M+Na]+	337.07635	180.2
[M-H]-	313.07985	180.6
[M+NH4]+	332.12095	191.5
[M+K]+	353.05029	177.6
[M+H-H2O]+	297.08439	167.2
[M+HCOO]-	359.08533	186.2
[M+CH3COO]-	373.10098	208.0
[M+Na-2H]-	335.06180	169.0
[M]+	314.08658	175.2
[M]-	314.08768	175.2

Literature stripe

literature stripe

Patent stripe

patents stripe