CID 9570758

65400-67-1

Structural Information

Molecular Formula

C₁₂H₁₅N₃OS

SMILES

CN\1CCS/C1=N/CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H15N3OS/c1-15-7-8-17-12(15)14-9-13-11(16)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)/b14-12+

InChIKey

JHHMVVNOKBCEEO-WYMLVPIESA-N

Compound name

N-[[(E)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.09358 Da
Monoisotopic Mass: 1.6
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]+	250.100856	155.9
[M+Na]+	272.082798	161.8
[M-H]-	248.086304	162.4
[M+NH4]+	267.127403	174.0
[M+K]+	288.056738	158.6
[M+H-H2O]+	232.090840	147.9
[M+HCOO]-	294.091781	175.6
[M+CH3COO]-	308.107431	196.3
[M+Na-2H]-	270.068246	157.2
[M]+	249.09303142	155.2
[M]-	249.09412858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.