CID 11270993

Taveuniamide d

Structural Information

Molecular Formula
C19H23Cl4NO3
SMILES
CC(=O)NC(CCCC#CCC(Cl)Cl)C(CCC#CC=C(Cl)Cl)C(=O)OC
InChI
InChI=1S/C19H23Cl4NO3/c1-14(25)24-16(11-7-3-4-8-12-17(20)21)15(19(26)27-2)10-6-5-9-13-18(22)23/h13,15-17H,3,6-7,10-12H2,1-2H3,(H,24,25)
InChIKey
PDKKGHRWYLPGPS-UHFFFAOYSA-N
Compound name
methyl 3-acetamido-10,10-dichloro-2-(6,6-dichlorohex-5-en-3-ynyl)dec-7-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.0432 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.05048 186.6
[M+Na]+ 476.03242 194.4
[M-H]- 452.03592 185.7
[M+NH4]+ 471.07702 194.0
[M+K]+ 492.00636 187.2
[M+H-H2O]+ 436.04046 176.6
[M+HCOO]- 498.04140 180.9
[M+CH3COO]- 512.05705 237.7
[M+Na-2H]- 474.01787 180.3
[M]+ 453.04265 182.1
[M]- 453.04375 182.1
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

No patent data available for this compound.