PubChemLite - Dysideaproline a (C19H27Cl4N3O2S)

Structural Information

Molecular Formula

SMILES

CC(CC(C(=O)N1CCCC1C2=NC=CS2)N(C)C(=O)CC(C)C(Cl)Cl)C(Cl)Cl

InChI

InChI=1S/C19H27Cl4N3O2S/c1-11(16(20)21)9-14(25(3)15(27)10-12(2)17(22)23)19(28)26-7-4-5-13(26)18-24-6-8-29-18/h6,8,11-14,16-17H,4-5,7,9-10H2,1-3H3

InChIKey

SYGJZULBETXLGR-UHFFFAOYSA-N

Compound name

4,4-dichloro-N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide

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]+	502.06508	209.6
[M+Na]+	524.04702	211.3
[M-H]-	500.05052	212.2
[M+NH4]+	519.09162	219.2
[M+K]+	540.02096	208.1
[M+H-H2O]+	484.05506	204.0
[M+HCOO]-	546.05600	199.8
[M+CH3COO]-	560.07165	237.6
[M+Na-2H]-	522.03247	196.5
[M]+	501.05725	213.6
[M]-	501.05835	213.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.06508

209.6

[M+Na]+

524.04702

211.3

[M-H]-

500.05052

212.2

[M+NH4]+

519.09162

219.2

[M+K]+

540.02096

208.1

[M+H-H2O]+

484.05506

204.0

[M+HCOO]-

546.05600

199.8

[M+CH3COO]-

560.07165

237.6

[M+Na-2H]-

522.03247

196.5

[M]+

501.05725

213.6

[M]-

501.05835

213.6

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

Dysideaproline a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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