PubChemLite - F4-mel. (C23H26N4O2S2)

Structural Information

Molecular Formula

SMILES

CC1CCC2(CC1)N(C(=O)C(S2)C)NC(=O)CC3=CSC4=NC(=CN34)C5=CC=CC=C5

InChI

InChI=1S/C23H26N4O2S2/c1-15-8-10-23(11-9-15)27(21(29)16(2)31-23)25-20(28)12-18-14-30-22-24-19(13-26(18)22)17-6-4-3-5-7-17/h3-7,13-16H,8-12H2,1-2H3,(H,25,28)

InChIKey

JPNBJOQMGBDFKD-UHFFFAOYSA-N

Compound name

N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-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]+	455.15700	205.1
[M+Na]+	477.13894	214.4
[M-H]-	453.14244	215.0
[M+NH4]+	472.18354	219.9
[M+K]+	493.11288	208.6
[M+H-H2O]+	437.14698	199.7
[M+HCOO]-	499.14792	213.8
[M+CH3COO]-	513.16357	214.0
[M+Na-2H]-	475.12439	199.6
[M]+	454.14917	208.0
[M]-	454.15027	208.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.15700

205.1

[M+Na]+

477.13894

214.4

[M-H]-

453.14244

215.0

[M+NH4]+

472.18354

219.9

[M+K]+

493.11288

208.6

[M+H-H2O]+

437.14698

199.7

[M+HCOO]-

499.14792

213.8

[M+CH3COO]-

513.16357

214.0

[M+Na-2H]-

475.12439

199.6

[M]+

454.14917

208.0

[M]-

454.15027

208.0

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

F4-mel.

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe