PubChemLite - 2-[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]-n-[(z)-(3-methyl-4-oxo-thiazolidin-2-ylidene)amino]acetamide (C17H14BrN5O2S2)

Structural Information

Molecular Formula

SMILES

CN\1C(=O)CS/C1=N\NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H14BrN5O2S2/c1-22-15(25)9-27-17(22)21-20-14(24)6-12-8-26-16-19-13(7-23(12)16)10-2-4-11(18)5-3-10/h2-5,7-8H,6,9H2,1H3,(H,20,24)/b21-17-

InChIKey

NOARSRYJOQTUBO-FXBPSFAMSA-N

Compound name

2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(Z)-(3-methyl-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]+	463.98451	183.1
[M+Na]+	485.96645	198.0
[M-H]-	461.96995	196.1
[M+NH4]+	481.01105	200.2
[M+K]+	501.94039	185.9
[M+H-H2O]+	445.97449	184.1
[M+HCOO]-	507.97543	197.4
[M+CH3COO]-	521.99108	196.7
[M+Na-2H]-	483.95190	182.8
[M]+	462.97668	207.2
[M]-	462.97778	207.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.98451

183.1

[M+Na]+

485.96645

198.0

[M-H]-

461.96995

196.1

[M+NH4]+

481.01105

200.2

[M+K]+

501.94039

185.9

[M+H-H2O]+

445.97449

184.1

[M+HCOO]-

507.97543

197.4

[M+CH3COO]-

521.99108

196.7

[M+Na-2H]-

483.95190

182.8

[M]+

462.97668

207.2

[M]-

462.97778

207.2

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-methyl-4-oxo-thiazolidin-2-ylidene)amino]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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