CID 113341

Glycine, n-(2-hydroxyethyl)-n-(2-((1-oxotetradecyl)amino)ethyl)-, sodium salt (1:1)

Structural Information

Molecular Formula
C20H40N2O4
SMILES
CCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O
InChI
InChI=1S/C20H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)21-14-15-22(16-17-23)18-20(25)26/h23H,2-18H2,1H3,(H,21,24)(H,25,26)
InChIKey
MVSHKCKFEOEKRP-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2119
Patents

372.2988 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.30608 199.6
[M+Na]+ 395.28802 198.4
[M-H]- 371.29152 195.8
[M+NH4]+ 390.33262 214.2
[M+K]+ 411.26196 196.2
[M+H-H2O]+ 355.29606 191.3
[M+HCOO]- 417.29700 218.2
[M+CH3COO]- 431.31265 224.5
[M+Na-2H]- 393.27347 195.7
[M]+ 372.29825 204.8
[M]- 372.29935 204.8
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

patents stripe