CID 5283426

(s)-(16,16-dimethyldocosa-cis-5,8,11,14-tetraenoyl)-2'-hydroxy-1'-propylamine

Structural Information

Molecular Formula
C27H47NO2
SMILES
CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@H](C)O
InChI
InChI=1S/C27H47NO2/c1-5-6-7-19-22-27(3,4)23-20-17-15-13-11-9-8-10-12-14-16-18-21-26(30)28-24-25(2)29/h8-9,12-15,20,23,25,29H,5-7,10-11,16-19,21-22,24H2,1-4H3,(H,28,30)/b9-8-,14-12-,15-13-,23-20-/t25-/m0/s1
InChIKey
KSNPOSBOLMASTE-ZBPDQRSVSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-[(2S)-2-hydroxypropyl]-16,16-dimethyldocosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.3607 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.36798 217.1
[M+Na]+ 440.34992 216.2
[M-H]- 416.35342 212.7
[M+NH4]+ 435.39452 216.6
[M+K]+ 456.32386 209.0
[M+H-H2O]+ 400.35796 209.8
[M+HCOO]- 462.35890 225.6
[M+CH3COO]- 476.37455 230.6
[M+Na-2H]- 438.33537 211.5
[M]+ 417.36015 220.8
[M]- 417.36125 220.8
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

No patent data available for this compound.