CID 21777974

Dysidamide h

Structural Information

Molecular Formula
C15H19Cl6NO3
SMILES
CC(C[C@H]1C(=O)C(C(=O)N1C(=O)CC(C)C(Cl)(Cl)Cl)(C)C)C(Cl)(Cl)Cl
InChI
InChI=1S/C15H19Cl6NO3/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/h7-9H,5-6H2,1-4H3/t7?,8?,9-/m0/s1
InChIKey
NWMDRGHUAJWWKA-HACHORDNSA-N
Compound name
(5S)-3,3-dimethyl-1-(4,4,4-trichloro-3-methylbutanoyl)-5-(3,3,3-trichloro-2-methylpropyl)pyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.94962 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.95690 196.7
[M+Na]+ 493.93884 202.3
[M-H]- 469.94234 192.9
[M+NH4]+ 488.98344 207.2
[M+K]+ 509.91278 198.2
[M+H-H2O]+ 453.94688 195.1
[M+HCOO]- 515.94782 181.5
[M+CH3COO]- 529.96347 228.7
[M+Na-2H]- 491.92429 189.5
[M]+ 470.94907 194.7
[M]- 470.95017 194.7
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.