CID 100916684

Dysamide p

Structural Information

Molecular Formula
C14H20Cl6N2O3
SMILES
C[C@@H](C[C@H]1C(=O)N(C(C(=O)N1C)(C[C@H](C)C(Cl)(Cl)Cl)O)C)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H20Cl6N2O3/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/h7-9,25H,5-6H2,1-4H3/t7-,8-,9-,12?/m0/s1
InChIKey
SCZVSPHRZSPBCV-ITTAVEFGSA-N
Compound name
(6S)-3-hydroxy-1,4-dimethyl-3,6-bis[(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

473.9605 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.96778 189.6
[M+Na]+ 496.94972 194.7
[M-H]- 472.95322 183.4
[M+NH4]+ 491.99432 197.1
[M+K]+ 512.92366 191.7
[M+H-H2O]+ 456.95776 187.4
[M+HCOO]- 518.95870 171.4
[M+CH3COO]- 532.97435 228.6
[M+Na-2H]- 494.93517 184.2
[M]+ 473.95995 185.9
[M]- 473.96105 185.9
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.