CID 14427417

N-isobutyl-2e,4e,12z-tetradecatrien-8,10-diynamide

Structural Information

Molecular Formula
C18H23NO
SMILES
C/C=C/C#CC#CCC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C18H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-5,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,13-12+,15-14+
InChIKey
GUJXDSIRNUISDE-CTAVSSKASA-N
Compound name
(2E,4E,12E)-N-(2-methylpropyl)tetradeca-2,4,12-trien-8,10-diynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.17798 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 175.3
[M+Na]+ 292.16720 182.4
[M-H]- 268.17070 175.3
[M+NH4]+ 287.21180 186.0
[M+K]+ 308.14114 177.1
[M+H-H2O]+ 252.17524 161.0
[M+HCOO]- 314.17618 183.1
[M+CH3COO]- 328.19183 220.4
[M+Na-2H]- 290.15265 172.4
[M]+ 269.17743 167.2
[M]- 269.17853 167.2
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.