CID 135563686

Chebi:142697

Structural Information

Molecular Formula
C20H33NO4
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@H](C(=O)O)O
InChI
InChI=1S/C20H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22)21-19(23)20(24)25/h3-4,6-7,9-10,19,23H,2,5,8,11-17H2,1H3,(H,21,22)(H,24,25)/b4-3-,7-6-,10-9-/t19-/m0/s1
InChIKey
VULBXMJTZIZSRA-MULKPHPQSA-N
Compound name
(2S)-2-hydroxy-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.24097 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.24825 193.0
[M+Na]+ 374.23019 193.5
[M-H]- 350.23369 188.1
[M+NH4]+ 369.27479 204.1
[M+K]+ 390.20413 188.4
[M+H-H2O]+ 334.23823 185.9
[M+HCOO]- 396.23917 209.2
[M+CH3COO]- 410.25482 212.6
[M+Na-2H]- 372.21564 188.4
[M]+ 351.24042 194.8
[M]- 351.24152 194.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.