CID 135473285

5-(4-bromobenzyl)-2-(2-pyridinylimino)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula

C₁₅H₁₂BrN₃OS

SMILES

C1=CC=NC(=C1)/N=C/2\NC(=O)C(S2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C15H12BrN3OS/c16-11-6-4-10(5-7-11)9-12-14(20)19-15(21-12)18-13-3-1-2-8-17-13/h1-8,12H,9H2,(H,17,18,19,20)

InChIKey

RKUZWACLXFMWTJ-UHFFFAOYSA-N

Compound name

(2E)-5-[(4-bromophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 360.98846 Da
Monoisotopic Mass: 3.9
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]+	361.995736	165.7
[M+Na]+	383.977678	177.5
[M-H]-	359.981184	175.8
[M+NH4]+	379.022283	182.0
[M+K]+	399.951618	163.6
[M+H-H2O]+	343.985720	164.2
[M+HCOO]-	405.986661	181.6
[M+CH3COO]-	420.002311	178.9
[M+Na-2H]-	381.963126	168.7
[M]+	360.98791142	183.5
[M]-	360.98900858	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe