CID 6481913

(4e,8e,12e,16e)-n,n-diethyl-4,8,13,17,21-pentamethyl-docosa-4,8,12,16,20-pentaen-1-amine

Structural Information

Molecular Formula
C31H55N
SMILES
CCN(CC)CCCC(=CCC/C(=C/CCC=C(C)CC/C=C(\C)/CCC=C(C)C)/C)C
InChI
InChI=1S/C31H55N/c1-9-32(10-2)26-16-25-31(8)24-15-22-29(6)19-12-11-18-28(5)21-14-23-30(7)20-13-17-27(3)4/h17-19,23-24H,9-16,20-22,25-26H2,1-8H3/b28-18?,29-19+,30-23+,31-24?
InChIKey
DYTYGLWXXSHWDM-LGXAKQQESA-N
Compound name
(8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.43344 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.44072 229.6
[M+Na]+ 464.42266 226.8
[M-H]- 440.42616 224.6
[M+NH4]+ 459.46726 237.8
[M+K]+ 480.39660 220.8
[M+H-H2O]+ 424.43070 221.5
[M+HCOO]- 486.43164 230.4
[M+CH3COO]- 500.44729 246.3
[M+Na-2H]- 462.40811 217.0
[M]+ 441.43289 229.8
[M]- 441.43399 229.8
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.