CID 11360404

Taveuniamide i

Structural Information

Molecular Formula
C17H20Cl3NO
SMILES
CC(=O)NC(CCCC#C/C=C/Cl)CCCC#CC=C(Cl)Cl
InChI
InChI=1S/C17H20Cl3NO/c1-15(22)21-16(11-7-3-2-6-10-14-18)12-8-4-5-9-13-17(19)20/h10,13-14,16H,3-4,7-8,11-12H2,1H3,(H,21,22)/b14-10+
InChIKey
NBTAVNCNFWJBLH-GXDHUFHOSA-N
Compound name
N-[(14E)-1,1,15-trichloropentadeca-1,14-dien-3,12-diyn-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.06104 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.06832 179.7
[M+Na]+ 382.05026 188.6
[M-H]- 358.05376 179.3
[M+NH4]+ 377.09486 189.5
[M+K]+ 398.02420 180.2
[M+H-H2O]+ 342.05830 168.3
[M+HCOO]- 404.05924 178.3
[M+CH3COO]- 418.07489 227.6
[M+Na-2H]- 380.03571 176.0
[M]+ 359.06049 173.9
[M]- 359.06159 173.9
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.