CID 6366139

Einecs 289-436-2

Structural Information

Molecular Formula
C24H50N4O
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)NCCNCCNCCN
InChI
InChI=1S/C24H50N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h9-10,26-27H,2-8,11-23,25H2,1H3,(H,28,29)/b10-9+
InChIKey
WQTPDIMWAXFYPL-MDZDMXLPSA-N
Compound name
(E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

410.39847 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.40575 210.1
[M+Na]+ 433.38769 206.7
[M-H]- 409.39119 206.3
[M+NH4]+ 428.43229 236.2
[M+K]+ 449.36163 201.7
[M+H-H2O]+ 393.39573 200.3
[M+HCOO]- 455.39667 231.0
[M+CH3COO]- 469.41232 240.4
[M+Na-2H]- 431.37314 207.0
[M]+ 410.39792 213.1
[M]- 410.39902 213.1
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

patents stripe