CID 11463564

Taveuniamide j

Structural Information

Molecular Formula
C17H19Cl4NO
SMILES
CC(=O)NC(CCCC#CC=C(Cl)Cl)CCCC#CC=C(Cl)Cl
InChI
InChI=1S/C17H19Cl4NO/c1-14(23)22-15(10-6-2-4-8-12-16(18)19)11-7-3-5-9-13-17(20)21/h12-13,15H,2-3,6-7,10-11H2,1H3,(H,22,23)
InChIKey
QCMCIUCOCAPEJI-UHFFFAOYSA-N
Compound name
N-(1,1,15,15-tetrachloropentadeca-1,14-dien-3,12-diyn-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.02206 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.02934 182.0
[M+Na]+ 416.01128 190.7
[M-H]- 392.01478 180.9
[M+NH4]+ 411.05588 190.7
[M+K]+ 431.98522 182.1
[M+H-H2O]+ 376.01932 171.8
[M+HCOO]- 438.02026 177.0
[M+CH3COO]- 452.03591 231.1
[M+Na-2H]- 413.99673 177.0
[M]+ 393.02151 175.7
[M]- 393.02261 175.7
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.