CID 5283413

N,n-(2,2-dihydroxy-ethyl) arachidonoyl amine

Structural Information

Molecular Formula
C24H41NO3
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(CCO)CCO
InChI
InChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25(20-22-26)21-23-27/h6-7,9-10,12-13,15-16,26-27H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
HVEFQBBVYPUGOM-DOFZRALJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N,N-bis(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

391.30865 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.31593 207.2
[M+Na]+ 414.29787 206.9
[M-H]- 390.30137 202.9
[M+NH4]+ 409.34247 212.2
[M+K]+ 430.27181 200.5
[M+H-H2O]+ 374.30591 199.3
[M+HCOO]- 436.30685 222.0
[M+CH3COO]- 450.32250 223.4
[M+Na-2H]- 412.28332 202.2
[M]+ 391.30810 211.6
[M]- 391.30920 211.6
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