CID 11233931

Taveuniamide f

Structural Information

Molecular Formula
C17H26Cl3NO
SMILES
CC(=O)NC(CCCCCCC(Cl)Cl)CCCC#C/C=C/Cl
InChI
InChI=1S/C17H26Cl3NO/c1-15(22)21-16(11-7-3-2-6-10-14-18)12-8-4-5-9-13-17(19)20/h10,14,16-17H,3-5,7-9,11-13H2,1H3,(H,21,22)/b14-10+
InChIKey
ARWYVRRMHQNULF-GXDHUFHOSA-N
Compound name
N-[(E)-1,15,15-trichloropentadec-1-en-3-yn-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.108 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11528 183.0
[M+Na]+ 388.09722 189.7
[M-H]- 364.10072 180.2
[M+NH4]+ 383.14182 195.5
[M+K]+ 404.07116 181.1
[M+H-H2O]+ 348.10526 173.8
[M+HCOO]- 410.10620 184.2
[M+CH3COO]- 424.12185 220.2
[M+Na-2H]- 386.08267 179.3
[M]+ 365.10745 182.2
[M]- 365.10855 182.2
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.