CID 87148172

Dioleoylethanolamine

Structural Information

Molecular Formula
C38H71NO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N(C(=O)CCCCCCC/C=C\CCCCCCCC)CCO
InChI
InChI=1S/C38H71NO3/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/h17-20,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-
InChIKey
BFSFOXVFLAJGQM-CLFAGFIQSA-N
Compound name
(Z)-N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

589.5434 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.55068 264.1
[M+Na]+ 612.53262 272.4
[M-H]- 588.53612 252.1
[M+NH4]+ 607.57722 266.4
[M+K]+ 628.50656 273.0
[M+H-H2O]+ 572.54066 263.8
[M+HCOO]- 634.54160 266.3
[M+CH3COO]- 648.55725 268.2
[M+Na-2H]- 610.51807 248.4
[M]+ 589.54285 261.7
[M]- 589.54395 261.7
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