CID 5283397

N-tert-butyl arachidonoyl amine

Structural Information

Molecular Formula
C24H41NO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)(C)C
InChI
InChI=1S/C24H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(26)25-24(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-22H2,1-4H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-
InChIKey
HZJPXXDVTLCBKG-SNPVRQPZSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-tert-butylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

359.31882 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.32610 200.8
[M+Na]+ 382.30804 201.9
[M-H]- 358.31154 198.4
[M+NH4]+ 377.35264 213.7
[M+K]+ 398.28198 195.3
[M+H-H2O]+ 342.31608 193.9
[M+HCOO]- 404.31702 218.5
[M+CH3COO]- 418.33267 220.9
[M+Na-2H]- 380.29349 198.2
[M]+ 359.31827 204.5
[M]- 359.31937 204.5
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