PubChemLite - Dihydrodysamide c (C15H20Cl6N2O2)

Structural Information

Molecular Formula

SMILES

C[C@@H](C[C@H]1C(=O)N(/C(=C/[C@H](C)C(Cl)(Cl)Cl)/C(=O)N1C)C)CC(Cl)(Cl)Cl

InChI

InChI=1S/C15H20Cl6N2O2/c1-8(7-14(16,17)18)5-10-12(24)23(4)11(13(25)22(10)3)6-9(2)15(19,20)21/h6,8-10H,5,7H2,1-4H3/b11-6+/t8-,9-,10-/m0/s1

InChIKey

QYPNHKOSJJFDRV-LZEFRMTCSA-N

Compound name

(3S,6E)-1,4-dimethyl-3-[(2S)-4,4,4-trichloro-2-methylbutyl]-6-[(2S)-3,3,3-trichloro-2-methylpropylidene]piperazine-2,5-dione

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]+	470.97288	199.1
[M+Na]+	492.95482	204.0
[M-H]-	468.95832	193.3
[M+NH4]+	487.99942	205.5
[M+K]+	508.92876	199.9
[M+H-H2O]+	452.96286	194.8
[M+HCOO]-	514.96380	181.2
[M+CH3COO]-	528.97945	230.3
[M+Na-2H]-	490.94027	191.3
[M]+	469.96505	195.1
[M]-	469.96615	195.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.97288

199.1

[M+Na]+

492.95482

204.0

[M-H]-

468.95832

193.3

[M+NH4]+

487.99942

205.5

[M+K]+

508.92876

199.9

[M+H-H2O]+

452.96286

194.8

[M+HCOO]-

514.96380

181.2

[M+CH3COO]-

528.97945

230.3

[M+Na-2H]-

490.94027

191.3

[M]+

469.96505

195.1

[M]-

469.96615

195.1

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

Dihydrodysamide c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe