CID 10595770

N-arachidonoyl dihydroxypropylamine

Structural Information

Molecular Formula
C23H39NO3
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(CO)CO
InChI
InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)24-22(20-25)21-26/h6-7,9-10,12-13,15-16,22,25-26H,2-5,8,11,14,17-21H2,1H3,(H,24,27)/b7-6-,10-9-,13-12-,16-15-
InChIKey
QHELXIATGZYOIB-DOFZRALJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(1,3-dihydroxypropan-2-yl)icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

377.293 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.300276 203.0
[M+Na]+ 400.282218 202.7
[M-H]- 376.285724 197.6
[M+NH4]+ 395.326823 205.3
[M+K]+ 416.256158 195.7
[M+H-H2O]+ 360.290260 195.5
[M+HCOO]- 422.291201 219.0
[M+CH3COO]- 436.306851 218.1
[M+Na-2H]- 398.267666 198.0
[M]+ 377.29245142 205.1
[M]- 377.29354858 205.1
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