PubChemLite - Dysidamide a (C15H21Cl6NO3)

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)Cl)(C)C)O)C(Cl)(Cl)Cl

InChI

InChI=1S/C15H21Cl6NO3/c1-7(14(16,17)18)5-9-11(24)13(3,4)12(25)22(9)10(23)6-8(2)15(19,20)21/h7-9,11,24H,5-6H2,1-4H3/t7-,8-,9-,11+/m0/s1

InChIKey

SZYKZXUJGUQVIX-FTYOSLGDSA-N

Compound name

(4S,5S)-4-hydroxy-3,3-dimethyl-1-[(3S)-4,4,4-trichloro-3-methylbutanoyl]-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]+	473.97255	196.0
[M+Na]+	495.95449	201.0
[M-H]-	471.95799	191.1
[M+NH4]+	490.99909	205.9
[M+K]+	511.92843	196.8
[M+H-H2O]+	455.96253	194.8
[M+HCOO]-	517.96347	179.5
[M+CH3COO]-	531.97912	227.5
[M+Na-2H]-	493.93994	188.6
[M]+	472.96472	193.0
[M]-	472.96582	193.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.97255

196.0

[M+Na]+

495.95449

201.0

[M-H]-

471.95799

191.1

[M+NH4]+

490.99909

205.9

[M+K]+

511.92843

196.8

[M+H-H2O]+

455.96253

194.8

[M+HCOO]-

517.96347

179.5

[M+CH3COO]-

531.97912

227.5

[M+Na-2H]-

493.93994

188.6

[M]+

472.96472

193.0

[M]-

472.96582

193.0

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

Dysidamide a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe