CID 45140272

Dysamide c

Structural Information

Molecular Formula
C14H16Cl6N2O2
SMILES
C[C@@H](/C=C/1\C(=O)N(/C(=C\[C@H](C)C(Cl)(Cl)Cl)/C(=O)N1C)C)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H16Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h5-8H,1-4H3/b9-5-,10-6+/t7-,8-/m0/s1
InChIKey
JNSPCDDEJLXLIO-NEHVXSQKSA-N
Compound name
(3Z,6E)-1,4-dimethyl-3,6-bis[(2S)-3,3,3-trichloro-2-methylpropylidene]piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

453.9343 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.94158 191.5
[M+Na]+ 476.92352 199.4
[M-H]- 452.92702 186.6
[M+NH4]+ 471.96812 198.7
[M+K]+ 492.89746 194.5
[M+H-H2O]+ 436.93156 187.1
[M+HCOO]- 498.93250 177.3
[M+CH3COO]- 512.94815 226.0
[M+Na-2H]- 474.90897 186.2
[M]+ 453.93375 190.2
[M]- 453.93485 190.2
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

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