PubChemLite - 2-[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]-n-[(z)-(3-ethyl-4-oxo-thiazolidin-2-ylidene)amino]acetamide (C18H16BrN5O2S2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C18H16BrN5O2S2/c1-2-23-16(26)10-28-18(23)22-21-15(25)7-13-9-27-17-20-14(8-24(13)17)11-3-5-12(19)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,21,25)/b22-18-

InChIKey

REYLPAYSMIXWHK-PYCFMQQDSA-N

Compound name

2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(Z)-(3-ethyl-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]+	478.00018	186.9
[M+Na]+	499.98212	201.4
[M-H]-	475.98562	199.7
[M+NH4]+	495.02672	203.5
[M+K]+	515.95606	189.1
[M+H-H2O]+	459.99016	187.8
[M+HCOO]-	521.99110	200.9
[M+CH3COO]-	536.00675	200.1
[M+Na-2H]-	497.96757	186.3
[M]+	476.99235	211.3
[M]-	476.99345	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

478.00018

186.9

[M+Na]+

499.98212

201.4

[M-H]-

475.98562

199.7

[M+NH4]+

495.02672

203.5

[M+K]+

515.95606

189.1

[M+H-H2O]+

459.99016

187.8

[M+HCOO]-

521.99110

200.9

[M+CH3COO]-

536.00675

200.1

[M+Na-2H]-

497.96757

186.3

[M]+

476.99235

211.3

[M]-

476.99345

211.3

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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