CID 57508679

Sodium lauroampho pg-acetate phosphate

Structural Information

Molecular Formula
C21H44N2O9P
SMILES
CCCCCCCCCCCC(=O)NCC[N+](CCO)(CC(COP(=O)(O)O)O)CC(=O)O
InChI
InChI=1S/C21H43N2O9P/c1-2-3-4-5-6-7-8-9-10-11-20(26)22-12-13-23(14-15-24,17-21(27)28)16-19(25)18-32-33(29,30)31/h19,24-25H,2-18H2,1H3,(H3-,22,26,27,28,29,30,31)/p+1
InChIKey
BEKGQTYMVRJGGP-UHFFFAOYSA-O
Compound name
carboxymethyl-[2-(dodecanoylamino)ethyl]-(2-hydroxyethyl)-(2-hydroxy-3-phosphonooxypropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

851
Patents

499.27844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.28572 218.7
[M+Na]+ 522.26766 220.0
[M-H]- 498.27116 220.0
[M+NH4]+ 517.31226 217.5
[M+K]+ 538.24160 213.6
[M+H-H2O]+ 482.27570 200.3
[M+HCOO]- 544.27664 222.4
[M+CH3COO]- 558.29229 229.7
[M+Na-2H]- 520.25311 202.2
[M]+ 499.27789 209.6
[M]- 499.27899 209.6
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.