CID 168010298

Dysamide q

Structural Information

Molecular Formula
C14H18Cl6N2O3
SMILES
C[C@@H](CC1(C(=O)N(/C(=C/[C@H](C)C(Cl)(Cl)Cl)/C(=O)N1C)C)O)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H18Cl6N2O3/c1-7(13(15,16)17)5-9-10(23)22(4)12(25,11(24)21(9)3)6-8(2)14(18,19)20/h5,7-8,25H,6H2,1-4H3/b9-5+/t7-,8-,12?/m0/s1
InChIKey
JWHSXBUUGFTVRQ-JIHUYVJASA-N
Compound name
(6E)-3-hydroxy-1,4-dimethyl-3-[(2S)-3,3,3-trichloro-2-methylpropyl]-6-[(2S)-3,3,3-trichloro-2-methylpropylidene]piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.94485 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.952126 189.5
[M+Na]+ 494.934068 195.0
[M-H]- 470.937574 183.4
[M+NH4]+ 489.978673 197.1
[M+K]+ 510.908008 191.4
[M+H-H2O]+ 454.942110 187.4
[M+HCOO]- 516.943051 171.4
[M+CH3COO]- 530.958701 227.4
[M+Na-2H]- 492.919516 184.1
[M]+ 471.94430142 185.2
[M]- 471.94539858 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.