CID 10598334

Dysamide j

Structural Information

Molecular Formula
C14H17Cl5N2O2
SMILES
C[C@@H](C[C@H]1C(=O)N(/C(=C\C(=C(Cl)Cl)C)/C(=O)N1C)C)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H17Cl5N2O2/c1-7(11(15)16)5-9-12(22)21(4)10(13(23)20(9)3)6-8(2)14(17,18)19/h5,8,10H,6H2,1-4H3/b9-5-/t8-,10-/m0/s1
InChIKey
GSTRDEBFQFLBIV-FMDAWORTSA-N
Compound name
(3Z,6S)-3-(3,3-dichloro-2-methylprop-2-enylidene)-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

0
Patents

419.97327 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.98055 184.0
[M+Na]+ 442.96249 190.6
[M-H]- 418.96599 180.1
[M+NH4]+ 438.00709 193.0
[M+K]+ 458.93643 185.1
[M+H-H2O]+ 402.97053 180.3
[M+HCOO]- 464.97147 171.9
[M+CH3COO]- 478.98712 222.9
[M+Na-2H]- 440.94794 176.8
[M]+ 419.97272 181.9
[M]- 419.97382 181.9
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.