CID 76967430

Disodium stearoamphodiacetate

Structural Information

Molecular Formula
C26H50N2O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O
InChI
InChI=1S/C26H50N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27-18-19-28(22-25(30)31)20-21-34-23-26(32)33/h2-23H2,1H3,(H,27,29)(H,30,31)(H,32,33)
InChIKey
IAIPTCNRZOZGSK-UHFFFAOYSA-N
Compound name
2-[2-(carboxymethoxy)ethyl-[2-(octadecanoylamino)ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

508
Patents

486.36688 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.37416 236.2
[M+Na]+ 509.35610 244.7
[M-H]- 485.35960 232.8
[M+NH4]+ 504.40070 238.9
[M+K]+ 525.33004 240.3
[M+H-H2O]+ 469.36414 235.9
[M+HCOO]- 531.36508 235.8
[M+CH3COO]- 545.38073 245.9
[M+Na-2H]- 507.34155 223.3
[M]+ 486.36633 231.1
[M]- 486.36743 231.1
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.