CID 6434381

Esa-peh

Structural Information

Molecular Formula
C26H40N2O
SMILES
CCCC/C=C/C=C/C=C/CCCCCCCC(=O)NNCCC1=CC=CC=C1
InChI
InChI=1S/C26H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-27-24-23-25-20-17-16-18-21-25/h5-10,16-18,20-21,27H,2-4,11-15,19,22-24H2,1H3,(H,28,29)/b6-5+,8-7+,10-9+
InChIKey
CHAJPYJMHWMBSB-SUTYWZMXSA-N
Compound name
(9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.31406 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.32134 207.0
[M+Na]+ 419.30328 206.4
[M-H]- 395.30678 207.3
[M+NH4]+ 414.34788 217.2
[M+K]+ 435.27722 198.8
[M+H-H2O]+ 379.31132 197.4
[M+HCOO]- 441.31226 227.9
[M+CH3COO]- 455.32791 229.2
[M+Na-2H]- 417.28873 205.5
[M]+ 396.31351 209.1
[M]- 396.31461 209.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.