CID 5368041

N,n-diethyl-n'-oleoylethylenediamine

Structural Information

Molecular Formula
C24H48N2O
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCN(CC)CC
InChI
InChI=1S/C24H48N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3/h13-14H,4-12,15-23H2,1-3H3,(H,25,27)/b14-13-
InChIKey
WCSBDRIEINNXNW-YPKPFQOOSA-N
Compound name
(Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

380.37668 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.38396 209.3
[M+Na]+ 403.36590 208.0
[M-H]- 379.36940 207.7
[M+NH4]+ 398.41050 221.4
[M+K]+ 419.33984 204.1
[M+H-H2O]+ 363.37394 200.5
[M+HCOO]- 425.37488 229.3
[M+CH3COO]- 439.39053 234.0
[M+Na-2H]- 401.35135 205.3
[M]+ 380.37613 216.3
[M]- 380.37723 216.3
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