CID 71768174

N,o-dioleoylethanolamine

Structural Information

Molecular Formula
C38H71NO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C38H71NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(40)39-35-36-42-38(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,39,40)/b19-17-,20-18-
InChIKey
HPOADJBREZVSHW-CLFAGFIQSA-N
Compound name
2-[[(Z)-octadec-9-enoyl]amino]ethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

589.5434 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.55068 265.1
[M+Na]+ 612.53262 272.9
[M-H]- 588.53612 251.5
[M+NH4]+ 607.57722 265.8
[M+K]+ 628.50656 273.0
[M+H-H2O]+ 572.54066 264.2
[M+HCOO]- 634.54160 269.6
[M+CH3COO]- 648.55725 267.6
[M+Na-2H]- 610.51807 248.7
[M]+ 589.54285 262.6
[M]- 589.54395 262.6
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