CID 162422435

Chebi:189544

Structural Information

Molecular Formula
C34H65NO3
SMILES
CCCCCCCCCCCCCCCC(=O)[C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,32,36H,3-13,15,17-31H2,1-2H3,(H,35,38)/b16-14-/t32-/m0/s1
InChIKey
ZUTNFFQGTRZIQE-ZMHHRVERSA-N
Compound name
(Z)-N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]hexadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.49646 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.50374 251.7
[M+Na]+ 558.48568 255.8
[M+NH4]+ 553.53028 251.9
[M+K]+ 574.45962 253.5
[M-H]- 534.48918 239.7
[M+Na-2H]- 556.47113 252.0
[M]+ 535.49591 248.8
[M]- 535.49701 248.8
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.