PubChemLite - Dysamide m (C14H20Cl4N2O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14H20Cl4N2O2/c1-7(11(15)16)5-9-13(21)20(4)10(14(22)19(9)3)6-8(2)12(17)18/h5,7-8,10-12H,6H2,1-4H3/b9-5-/t7-,8-,10-/m0/s1

InChIKey

HPESIQPIRSOIDD-YQDKCZNOSA-N

Compound name

(3S,6Z)-3-[(2S)-3,3-dichloro-2-methylpropyl]-6-[(2S)-3,3-dichloro-2-methylpropylidene]-1,4-dimethylpiperazine-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]+	389.03518	175.9
[M+Na]+	411.01712	182.8
[M-H]-	387.02062	173.5
[M+NH4]+	406.06172	186.7
[M+K]+	426.99106	177.4
[M+H-H2O]+	371.02516	172.0
[M+HCOO]-	433.02610	169.4
[M+CH3COO]-	447.04175	220.4
[M+Na-2H]-	409.00257	168.5
[M]+	388.02735	176.6
[M]-	388.02845	176.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.03518

175.9

[M+Na]+

411.01712

182.8

[M-H]-

387.02062

173.5

[M+NH4]+

406.06172

186.7

[M+K]+

426.99106

177.4

[M+H-H2O]+

371.02516

172.0

[M+HCOO]-

433.02610

169.4

[M+CH3COO]-

447.04175

220.4

[M+Na-2H]-

409.00257

168.5

[M]+

388.02735

176.6

[M]-

388.02845

176.6

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

Dysamide m

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe