CID 44151328

Dtxsid601248170

Structural Information

Molecular Formula
C40H77NO
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C40H77NO/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/h17-20H,3-16,21-39H2,1-2H3,(H,41,42)/b19-17-,20-18-
InChIKey
SFUDABXTUIYDDF-CLFAGFIQSA-N
Compound name
(Z)-N-[(Z)-octadec-9-enyl]docos-13-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

587.6005 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.60778 271.9
[M+Na]+ 610.58972 279.2
[M-H]- 586.59322 253.8
[M+NH4]+ 605.63432 269.0
[M+K]+ 626.56366 280.2
[M+H-H2O]+ 570.59776 269.6
[M+HCOO]- 632.59870 276.9
[M+CH3COO]- 646.61435 270.5
[M+Na-2H]- 608.57517 254.1
[M]+ 587.59995 269.3
[M]- 587.60105 269.3
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