CID 146170903

Phcer 22:1(13z)

Structural Information

Molecular Formula
C40H79NO4
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)O)O
InChI
InChI=1S/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h17-18,37-38,40,42-43,45H,3-16,19-36H2,1-2H3,(H,41,44)/b18-17-/t37-,38+,40-/m0/s1
InChIKey
KBVAIKYKOQVABM-FJHZTNJWSA-N
Compound name
(Z)-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]docos-13-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

637.6009 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.60818 273.6
[M+Na]+ 660.59012 276.8
[M+NH4]+ 655.63472 273.7
[M+K]+ 676.56406 275.8
[M-H]- 636.59362 261.3
[M+Na-2H]- 658.57557 272.0
[M]+ 637.60035 270.6
[M]- 637.60145 270.6
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

No patent data available for this compound.