PubChemLite - 2-[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]-n-(3-methyl-2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)acetamide (C22H23ClN4O2S2)

Structural Information

Molecular Formula

SMILES

CC1C(=O)N(C2(S1)CCCCC2)NC(=O)CC3=CSC4=NC(=CN34)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H23ClN4O2S2/c1-14-20(29)27(22(31-14)9-3-2-4-10-22)25-19(28)11-17-13-30-21-24-18(12-26(17)21)15-5-7-16(23)8-6-15/h5-8,12-14H,2-4,9-11H2,1H3,(H,25,28)

InChIKey

UDRONNFRXKIWPQ-UHFFFAOYSA-N

Compound name

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(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]+	475.10238	209.1
[M+Na]+	497.08432	219.3
[M-H]-	473.08782	219.2
[M+NH4]+	492.12892	224.0
[M+K]+	513.05826	212.9
[M+H-H2O]+	457.09236	204.0
[M+HCOO]-	519.09330	213.6
[M+CH3COO]-	533.10895	218.0
[M+Na-2H]-	495.06977	203.5
[M]+	474.09455	213.6
[M]-	474.09565	213.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.10238

209.1

[M+Na]+

497.08432

219.3

[M-H]-

473.08782

219.2

[M+NH4]+

492.12892

224.0

[M+K]+

513.05826

212.9

[M+H-H2O]+

457.09236

204.0

[M+HCOO]-

519.09330

213.6

[M+CH3COO]-

533.10895

218.0

[M+Na-2H]-

495.06977

203.5

[M]+

474.09455

213.6

[M]-

474.09565

213.6

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-(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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