CID 58048841

N-oleoyl-n'-stearoylethylenediamine

Structural Information

Molecular Formula
C38H74N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C38H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-36H2,1-2H3,(H,39,41)(H,40,42)/b19-17-
InChIKey
SBQJMINUQRPKKC-ZPHPHTNESA-N
Compound name
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

590.575 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.58228 274.6
[M+Na]+ 613.56422 283.2
[M-H]- 589.56772 261.7
[M+NH4]+ 608.60882 273.1
[M+K]+ 629.53816 282.8
[M+H-H2O]+ 573.57226 272.2
[M+HCOO]- 635.57320 276.0
[M+CH3COO]- 649.58885 272.1
[M+Na-2H]- 611.54967 257.1
[M]+ 590.57445 269.6
[M]- 590.57555 269.6
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