CID 171118780

13-hdhea

Structural Information

Molecular Formula
C24H37NO3
SMILES
CC/C=C\C/C=C\C=C\C(C/C=C\C/C=C\C/C=C\CCC(=O)NCCO)O
InChI
InChI=1S/C24H37NO3/c1-2-3-4-5-9-12-15-18-23(27)19-16-13-10-7-6-8-11-14-17-20-24(28)25-21-22-26/h3-4,6-7,9,11-16,18,23,26-27H,2,5,8,10,17,19-22H2,1H3,(H,25,28)/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+
InChIKey
KMOQJEAIQUDRIK-SKSHMZPZSA-N
Compound name
(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxy-N-(2-hydroxyethyl)docosa-4,7,10,14,16,19-hexaenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.27734 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.28462 204.5
[M+Na]+ 410.26656 204.5
[M-H]- 386.27006 199.0
[M+NH4]+ 405.31116 205.3
[M+K]+ 426.24050 196.1
[M+H-H2O]+ 370.27460 197.1
[M+HCOO]- 432.27554 216.8
[M+CH3COO]- 446.29119 218.2
[M+Na-2H]- 408.25201 199.1
[M]+ 387.27679 205.4
[M]- 387.27789 205.4
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.