CID 21777622

Taveuniamide g

Structural Information

Molecular Formula
C17H21Cl4NO
SMILES
CC(=O)NC(CCCC#CCC(Cl)Cl)CCCC#CC=C(Cl)Cl
InChI
InChI=1S/C17H21Cl4NO/c1-14(23)22-15(10-6-2-4-8-12-16(18)19)11-7-3-5-9-13-17(20)21/h12,15,17H,2-3,6-7,10-11,13H2,1H3,(H,22,23)
InChIKey
UJHURGUGOWAGMH-UHFFFAOYSA-N
Compound name
N-(1,1,15,15-tetrachloropentadec-1-en-3,12-diyn-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.03772 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.04500 180.4
[M+Na]+ 418.02694 188.8
[M-H]- 394.03044 179.2
[M+NH4]+ 413.07154 189.1
[M+K]+ 434.00088 180.7
[M+H-H2O]+ 378.03498 170.1
[M+HCOO]- 440.03592 175.3
[M+CH3COO]- 454.05157 232.0
[M+Na-2H]- 416.01239 175.6
[M]+ 395.03717 174.6
[M]- 395.03827 174.6
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.