CID 6436363

Stearyl erucamide

Structural Information

Molecular Formula
C40H79NO
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17-
InChIKey
FUSNPOOETKRESL-ZPHPHTNESA-N
Compound name
(Z)-N-octadecyldocos-13-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5326
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

literature stripe

Patent stripe

patents stripe