PubChemLite - 2-[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]-n-[(z)-[3-(4-chlorophenyl)-4-oxo-thiazolidin-2-ylidene]amino]acetamide (C22H15BrClN5O2S2)

Structural Information

Molecular Formula

SMILES

C1C(=O)N(/C(=N/NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br)/S1)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H15BrClN5O2S2/c23-14-3-1-13(2-4-14)18-10-28-17(11-32-21(28)25-18)9-19(30)26-27-22-29(20(31)12-33-22)16-7-5-15(24)6-8-16/h1-8,10-11H,9,12H2,(H,26,30)/b27-22-

InChIKey

GPZDQGWVOUEOBA-QYQHSDTDSA-N

Compound name

2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide

Related CIDs

2D Structure

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]+	559.96118	205.8
[M+Na]+	581.94312	221.0
[M-H]-	557.94662	221.7
[M+NH4]+	576.98772	220.0
[M+K]+	597.91706	207.6
[M+H-H2O]+	541.95116	206.9
[M+HCOO]-	603.95210	215.7
[M+CH3COO]-	617.96775	218.1
[M+Na-2H]-	579.92857	204.4
[M]+	558.95335	231.4
[M]-	558.95445	231.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

559.96118

205.8

[M+Na]+

581.94312

221.0

[M-H]-

557.94662

221.7

[M+NH4]+

576.98772

220.0

[M+K]+

597.91706

207.6

[M+H-H2O]+

541.95116

206.9

[M+HCOO]-

603.95210

215.7

[M+CH3COO]-

617.96775

218.1

[M+Na-2H]-

579.92857

204.4

[M]+

558.95335

231.4

[M]-

558.95445

231.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]-n-[(z)-[3-(4-chlorophenyl)-4-oxo-thiazolidin-2-ylidene]amino]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe