CID 12002838

Dysamide b

Structural Information

Molecular Formula
C14H22Cl4N2O2
SMILES
C[C@@H](C[C@H]1C(=O)N([C@H](C(=O)N1C)C[C@H](C)C(Cl)Cl)C)C(Cl)Cl
InChI
InChI=1S/C14H22Cl4N2O2/c1-7(11(15)16)5-9-13(21)20(4)10(14(22)19(9)3)6-8(2)12(17)18/h7-12H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
InChIKey
VRQZGAPBWYEDHZ-XKNYDFJKSA-N
Compound name
(3S,6S)-3,6-bis[(2S)-3,3-dichloro-2-methylpropyl]-1,4-dimethylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.04355 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.05083 176.5
[M+Na]+ 413.03277 183.1
[M-H]- 389.03627 174.1
[M+NH4]+ 408.07737 187.3
[M+K]+ 429.00671 178.3
[M+H-H2O]+ 373.04081 172.5
[M+HCOO]- 435.04175 169.8
[M+CH3COO]- 449.05740 221.8
[M+Na-2H]- 411.01822 169.1
[M]+ 390.04300 178.0
[M]- 390.04410 178.0
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

No patent data available for this compound.