CID 5283395

N-isopropyl arachidonoyl amine

Structural Information

Molecular Formula
C23H39NO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)C
InChI
InChI=1S/C23H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22(2)3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
InChIKey
NARAPOUIUKBGJL-GKFVBPDJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-propan-2-ylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

345.30316 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.31044 197.1
[M+Na]+ 368.29238 197.8
[M-H]- 344.29588 194.6
[M+NH4]+ 363.33698 210.3
[M+K]+ 384.26632 191.5
[M+H-H2O]+ 328.30042 189.7
[M+HCOO]- 390.30136 215.6
[M+CH3COO]- 404.31701 219.1
[M+Na-2H]- 366.27783 193.0
[M]+ 345.30261 200.3
[M]- 345.30371 200.3
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