CID 102213338

Dysidamide b

Structural Information

Molecular Formula
C15H23Cl4NO3
SMILES
C[C@@H](CC(=O)N1[C@H]([C@H](C(C1=O)(C)C)O)CC(C)C(Cl)Cl)C(Cl)Cl
InChI
InChI=1S/C15H23Cl4NO3/c1-7(12(16)17)5-9-11(22)15(3,4)14(23)20(9)10(21)6-8(2)13(18)19/h7-9,11-13,22H,5-6H2,1-4H3/t7?,8-,9-,11+/m0/s1
InChIKey
KSLNDMUDKLQWJA-MHSYOIBSSA-N
Compound name
(4S,5S)-1-[(3S)-4,4-dichloro-3-methylbutanoyl]-5-(3,3-dichloro-2-methylpropyl)-4-hydroxy-3,3-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.0432 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.05048 178.9
[M+Na]+ 428.03242 185.5
[M-H]- 404.03592 177.2
[M+NH4]+ 423.07702 193.1
[M+K]+ 444.00636 180.2
[M+H-H2O]+ 388.04046 177.9
[M+HCOO]- 450.04140 173.5
[M+CH3COO]- 464.05705 219.9
[M+Na-2H]- 426.01787 170.8
[M]+ 405.04265 181.1
[M]- 405.04375 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.