CID 10550375

Dysamide d

Structural Information

Molecular Formula
C14H21Cl5N2O2
SMILES
C[C@@H](C[C@H]1C(=O)N([C@H](C(=O)N1C)C[C@H](C)C(Cl)(Cl)Cl)C)C(Cl)Cl
InChI
InChI=1S/C14H21Cl5N2O2/c1-7(11(15)16)5-9-12(22)21(4)10(13(23)20(9)3)6-8(2)14(17,18)19/h7-11H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
InChIKey
UTEKGWWXPYZXIW-XKNYDFJKSA-N
Compound name
(3S,6S)-3-[(2S)-3,3-dichloro-2-methylpropyl]-1,4-dimethyl-6-[(2S)-3,3,3-trichloro-2-methylpropyl]piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

424.00458 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.01186 184.8
[M+Na]+ 446.99380 190.8
[M-H]- 422.99730 180.8
[M+NH4]+ 442.03840 193.7
[M+K]+ 462.96774 186.4
[M+H-H2O]+ 407.00184 180.9
[M+HCOO]- 469.00278 172.3
[M+CH3COO]- 483.01843 225.4
[M+Na-2H]- 444.97925 177.7
[M]+ 424.00403 184.0
[M]- 424.00513 184.0
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

patents stripe