CID 168010355

Dysideapyrrolidone

Structural Information

Molecular Formula
C17H22Cl6N2O4
SMILES
C[C@H]1C(=CC(=O)N1C(=O)[C@@H](C[C@@H](C)C(Cl)(Cl)Cl)NC(=O)C[C@@H](C)C(Cl)(Cl)Cl)OC
InChI
InChI=1S/C17H22Cl6N2O4/c1-8(16(18,19)20)5-11(24-13(26)6-9(2)17(21,22)23)15(28)25-10(3)12(29-4)7-14(25)27/h7-11H,5-6H2,1-4H3,(H,24,26)/t8-,9-,10+,11-/m1/s1
InChIKey
RVHNPGVMQFYYJY-CHWFTXMASA-N
Compound name
(3R)-4,4,4-trichloro-3-methyl-N-[(2R,4R)-5,5,5-trichloro-1-[(2S)-3-methoxy-2-methyl-5-oxo-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.97107 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.97835 210.1
[M+Na]+ 550.96029 213.5
[M-H]- 526.96379 206.5
[M+NH4]+ 546.00489 216.8
[M+K]+ 566.93423 210.2
[M+H-H2O]+ 510.96833 207.3
[M+HCOO]- 572.96927 195.4
[M+CH3COO]- 586.98492 238.8
[M+Na-2H]- 548.94574 201.1
[M]+ 527.97052 209.9
[M]- 527.97162 209.9
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.