CID 109974

68298-20-4

Structural Information

Molecular Formula
C20H38N2O6
SMILES
CCCCCCCCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O
InChI
InChI=1S/C20H38N2O6/c1-2-3-4-5-6-7-8-9-10-11-18(23)21-12-13-22(16-19(24)25)14-15-28-17-20(26)27/h2-17H2,1H3,(H,21,23)(H,24,25)(H,26,27)
InChIKey
AVFYPLIPJNHMRT-UHFFFAOYSA-N
Compound name
2-[2-(carboxymethoxy)ethyl-[2-(dodecanoylamino)ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5035
Patents

402.27298 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.28026 201.2
[M+Na]+ 425.26220 224.4
[M+NH4]+ 420.30680 221.3
[M+K]+ 441.23614 220.0
[M-H]- 401.26570 215.2
[M+Na-2H]- 423.24765 197.1
[M]+ 402.27243 217.8
[M]- 402.27353 217.8
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