CID 6450504

N-erucylstearamide

Structural Information

Molecular Formula
C40H79NO
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCC/C=C/CCCCCCCC
InChI
InChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-41-40(42)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17+
InChIKey
HDFGRGDDXJURFG-HTXNQAPBSA-N
Compound name
N-[(E)-docos-13-enyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

589.61615 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.62343 274.4
[M+Na]+ 612.60537 281.0
[M-H]- 588.60887 255.4
[M+NH4]+ 607.64997 271.1
[M+K]+ 628.57931 282.5
[M+H-H2O]+ 572.61341 272.0
[M+HCOO]- 634.61435 278.5
[M+CH3COO]- 648.63000 271.8
[M+Na-2H]- 610.59082 256.0
[M]+ 589.61560 272.0
[M]- 589.61670 272.0
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