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]+ 472.95213 189.5
[M+Na]+ 494.93407 195.0
[M-H]- 470.93757 183.4
[M+NH4]+ 489.97867 197.1
[M+K]+ 510.90801 191.4
[M+H-H2O]+ 454.94211 187.4
[M+HCOO]- 516.94305 171.4
[M+CH3COO]- 530.95870 227.4
[M+Na-2H]- 492.91952 184.1
[M]+ 471.94430 185.2
[M]- 471.94540 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.