PubChemLite - 2-[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]-n-(8-ethyl-3-methyl-2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)acetamide (C24H27ClN4O2S2)

Structural Information

Molecular Formula

SMILES

CCC1CCC2(CC1)N(C(=O)C(S2)C)NC(=O)CC3=CSC4=NC(=CN34)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H27ClN4O2S2/c1-3-16-8-10-24(11-9-16)29(22(31)15(2)33-24)27-21(30)12-19-14-32-23-26-20(13-28(19)23)17-4-6-18(25)7-5-17/h4-7,13-16H,3,8-12H2,1-2H3,(H,27,30)

InChIKey

FYKVWIYCJLVPFF-UHFFFAOYSA-N

Compound name

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(8-ethyl-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)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]+	503.13368	217.2
[M+Na]+	525.11562	227.1
[M-H]-	501.11912	227.2
[M+NH4]+	520.16022	231.2
[M+K]+	541.08956	220.3
[M+H-H2O]+	485.12366	212.1
[M+HCOO]-	547.12460	220.9
[M+CH3COO]-	561.14025	225.4
[M+Na-2H]-	523.10107	210.2
[M]+	502.12585	222.6
[M]-	502.12695	222.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.13368

217.2

[M+Na]+

525.11562

227.1

[M-H]-

501.11912

227.2

[M+NH4]+

520.16022

231.2

[M+K]+

541.08956

220.3

[M+H-H2O]+

485.12366

212.1

[M+HCOO]-

547.12460

220.9

[M+CH3COO]-

561.14025

225.4

[M+Na-2H]-

523.10107

210.2

[M]+

502.12585

222.6

[M]-

502.12695

222.6

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

2-[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]-n-(8-ethyl-3-methyl-2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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