CID 118906407

Stearidonoyl glycine

Structural Information

Molecular Formula
C20H31NO3
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)NCC(=O)O
InChI
InChI=1S/C20H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h3-4,6-7,9-10,12-13H,2,5,8,11,14-18H2,1H3,(H,21,22)(H,23,24)/b4-3-,7-6-,10-9-,13-12-
InChIKey
DSUOLDCTHRQBTI-LTKCOYKYSA-N
Compound name
2-[[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

333.2304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.237676 188.2
[M+Na]+ 356.219618 189.8
[M-H]- 332.223124 184.8
[M+NH4]+ 351.264223 200.9
[M+K]+ 372.193558 183.8
[M+H-H2O]+ 316.227660 181.1
[M+HCOO]- 378.228601 206.8
[M+CH3COO]- 392.244251 210.7
[M+Na-2H]- 354.205066 185.2
[M]+ 333.22985142 190.4
[M]- 333.23094858 190.4
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

patents stripe