PubChemLite - 2-[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]-n-(8-methyl-2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)acetamide (C22H23ClN4O2S2)

Structural Information

Molecular Formula

SMILES

CC1CCC2(CC1)N(C(=O)CS2)NC(=O)CC3=CSC4=NC(=CN34)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H23ClN4O2S2/c1-14-6-8-22(9-7-14)27(20(29)13-31-22)25-19(28)10-17-12-30-21-24-18(11-26(17)21)15-2-4-16(23)5-3-15/h2-5,11-12,14H,6-10,13H2,1H3,(H,25,28)

InChIKey

XZGKQZJKOODQNE-UHFFFAOYSA-N

Compound name

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(8-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-(8-methyl-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