PubChemLite - Dysidamide d (C15H22Cl5NO3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15H22Cl5NO3/c1-7(12(16)17)5-10(22)21-9(6-8(2)15(18,19)20)11(23)14(3,4)13(21)24/h7-9,11-12,23H,5-6H2,1-4H3/t7-,8-,9-,11+/m0/s1

InChIKey

YPWZUTUEUOEWPU-FTYOSLGDSA-N

Compound name

(4S,5S)-1-[(3S)-4,4-dichloro-3-methylbutanoyl]-4-hydroxy-3,3-dimethyl-5-[(2S)-3,3,3-trichloro-2-methylpropyl]pyrrolidin-2-one

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]+	440.01152	186.2
[M+Na]+	461.99346	192.2
[M-H]-	437.99696	183.0
[M+NH4]+	457.03806	198.4
[M+K]+	477.96740	187.2
[M+H-H2O]+	422.00150	185.3
[M+HCOO]-	484.00244	175.1
[M+CH3COO]-	498.01809	223.6
[M+Na-2H]-	459.97891	178.7
[M]+	439.00369	186.2
[M]-	439.00479	186.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.01152

186.2

[M+Na]+

461.99346

192.2

[M-H]-

437.99696

183.0

[M+NH4]+

457.03806

198.4

[M+K]+

477.96740

187.2

[M+H-H2O]+

422.00150

185.3

[M+HCOO]-

484.00244

175.1

[M+CH3COO]-

498.01809

223.6

[M+Na-2H]-

459.97891

178.7

[M]+

439.00369

186.2

[M]-

439.00479

186.2

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

Dysidamide d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe