PubChemLite - 2-[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]-n-(8-ethyl-2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)acetamide (C23H25ClN4O2S2)

Structural Information

Molecular Formula

SMILES

CCC1CCC2(CC1)N(C(=O)CS2)NC(=O)CC3=CSC4=NC(=CN34)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H25ClN4O2S2/c1-2-15-7-9-23(10-8-15)28(21(30)14-32-23)26-20(29)11-18-13-31-22-25-19(12-27(18)22)16-3-5-17(24)6-4-16/h3-6,12-13,15H,2,7-11,14H2,1H3,(H,26,29)

InChIKey

QCXYQCGGKDYYDY-UHFFFAOYSA-N

Compound name

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(8-ethyl-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]+	489.11803	212.8
[M+Na]+	511.09997	222.5
[M-H]-	487.10347	222.7
[M+NH4]+	506.14457	227.2
[M+K]+	527.07391	215.9
[M+H-H2O]+	471.10801	207.5
[M+HCOO]-	533.10895	217.0
[M+CH3COO]-	547.12460	221.3
[M+Na-2H]-	509.08542	206.8
[M]+	488.11020	217.6
[M]-	488.11130	217.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.11803

212.8

[M+Na]+

511.09997

222.5

[M-H]-

487.10347

222.7

[M+NH4]+

506.14457

227.2

[M+K]+

527.07391

215.9

[M+H-H2O]+

471.10801

207.5

[M+HCOO]-

533.10895

217.0

[M+CH3COO]-

547.12460

221.3

[M+Na-2H]-

509.08542

206.8

[M]+

488.11020

217.6

[M]-

488.11130

217.6

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-2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe