CID 11739976

Taveuniamide k

Structural Information

Molecular Formula
C17H22Cl3NO
SMILES
CC(=O)NC(CCC/C=C\C=C(Cl)Cl)CCCC#C/C=C\Cl
InChI
InChI=1S/C17H22Cl3NO/c1-15(22)21-16(11-7-3-2-6-10-14-18)12-8-4-5-9-13-17(19)20/h5,9-10,13-14,16H,3-4,7-8,11-12H2,1H3,(H,21,22)/b9-5-,14-10-
InChIKey
KHCZTRMIJAMOLW-WIIOUWJKSA-N
Compound name
N-[(3Z,14Z)-1,1,15-trichloropentadeca-1,3,14-trien-12-yn-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0767 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.08398 184.1
[M+Na]+ 384.06592 191.5
[M-H]- 360.06942 181.5
[M+NH4]+ 379.11052 196.8
[M+K]+ 400.03986 181.8
[M+H-H2O]+ 344.07396 175.1
[M+HCOO]- 406.07490 185.6
[M+CH3COO]- 420.09055 217.7
[M+Na-2H]- 382.05137 180.2
[M]+ 361.07615 181.9
[M]- 361.07725 181.9
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.