CID 10760689

Dysamide u

Structural Information

Molecular Formula
C14H21Cl3N2O2
SMILES
C[C@@H](C[C@H]1C(=O)N(/C(=C/[C@H](C)C(Cl)Cl)/C(=O)N1C)C)CCl
InChI
InChI=1S/C14H21Cl3N2O2/c1-8(7-15)5-10-13(20)19(4)11(14(21)18(10)3)6-9(2)12(16)17/h6,8-10,12H,5,7H2,1-4H3/b11-6+/t8-,9-,10-/m0/s1
InChIKey
GKYGSNSRYKQYTK-LZEFRMTCSA-N
Compound name
(3S,6E)-3-[(2S)-3-chloro-2-methylpropyl]-6-[(2S)-3,3-dichloro-2-methylpropylidene]-1,4-dimethylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.06686 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07414 173.2
[M+Na]+ 377.05608 181.0
[M-H]- 353.05958 172.2
[M+NH4]+ 372.10068 185.8
[M+K]+ 393.03002 175.2
[M+H-H2O]+ 337.06412 168.6
[M+HCOO]- 399.06506 172.7
[M+CH3COO]- 413.08071 214.8
[M+Na-2H]- 375.04153 167.6
[M]+ 354.06631 175.3
[M]- 354.06741 175.3
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

patents stripe