CID 11151529

Taveuniamide h

Structural Information

Molecular Formula
C17H21Cl2NO
SMILES
CC(=O)NC(CCCC#C/C=C/Cl)CCCC#C/C=C/Cl
InChI
InChI=1S/C17H21Cl2NO/c1-16(21)20-17(12-8-4-2-6-10-14-18)13-9-5-3-7-11-15-19/h10-11,14-15,17H,4-5,8-9,12-13H2,1H3,(H,20,21)/b14-10+,15-11+
InChIKey
BKSORQIXSBADRL-WFYKWJGLSA-N
Compound name
N-[(1E,14E)-1,15-dichloropentadeca-1,14-dien-3,12-diyn-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10728 176.8
[M+Na]+ 348.08922 185.6
[M-H]- 324.09272 176.8
[M+NH4]+ 343.13382 187.4
[M+K]+ 364.06316 177.8
[M+H-H2O]+ 308.09726 164.4
[M+HCOO]- 370.09820 179.1
[M+CH3COO]- 384.11385 224.1
[M+Na-2H]- 346.07467 174.2
[M]+ 325.09945 171.1
[M]- 325.10055 171.1
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.