CID 5283389

N-arachidonylglycine

Structural Information

Molecular Formula
C22H35NO3
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O
InChI
InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-
InChIKey
YLEARPUNMCCKMP-DOFZRALJSA-N
Compound name
2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

86
References

483
Patents

361.2617 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.26898 197.3
[M+Na]+ 384.25092 201.9
[M+NH4]+ 379.29552 201.4
[M+K]+ 400.22486 194.6
[M-H]- 360.25442 193.4
[M+Na-2H]- 382.23637 194.5
[M]+ 361.26115 196.0
[M]- 361.26225 196.0
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