CID 5283389

N-arachidonoylglycine

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

420
Patents

361.2617 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.268976 196.8
[M+Na]+ 384.250918 197.7
[M-H]- 360.254424 193.0
[M+NH4]+ 379.295523 208.4
[M+K]+ 400.224858 191.2
[M+H-H2O]+ 344.258960 189.4
[M+HCOO]- 406.259901 214.9
[M+CH3COO]- 420.275551 216.7
[M+Na-2H]- 382.236366 192.9
[M]+ 361.26115142 199.8
[M]- 361.26224858 199.8
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