CID 15609896

Chembl460024

Structural Information

Molecular Formula
C17H23NO
SMILES
CCC(C)CNC(=O)/C=C/C=C\CCC#CC#CC
InChI
InChI=1S/C17H23NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h11-14,16H,5,9-10,15H2,1-3H3,(H,18,19)/b12-11-,14-13+
InChIKey
BILULZPLQWTTIT-RCWDKCQFSA-N
Compound name
(2E,4Z)-N-(2-methylbutyl)dodeca-2,4-dien-8,10-diynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

257.17798 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 171.1
[M+Na]+ 280.16720 178.2
[M-H]- 256.17070 171.2
[M+NH4]+ 275.21180 182.1
[M+K]+ 296.14114 173.5
[M+H-H2O]+ 240.17524 156.9
[M+HCOO]- 302.17618 179.0
[M+CH3COO]- 316.19183 219.9
[M+Na-2H]- 278.15265 168.8
[M]+ 257.17743 163.4
[M]- 257.17853 163.4
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

patents stripe