CID 9802008

Lauroyl ethylenediamine triacetic acid

Structural Information

Molecular Formula
C20H36N2O7
SMILES
CCCCCCCCCCCC(=O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI
InChI=1S/C20H36N2O7/c1-2-3-4-5-6-7-8-9-10-11-17(23)22(16-20(28)29)13-12-21(14-18(24)25)15-19(26)27/h2-16H2,1H3,(H,24,25)(H,26,27)(H,28,29)
InChIKey
IWNZUQBLGWBHIC-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[2-[carboxymethyl(dodecanoyl)amino]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

291
Patents

416.25226 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.25954 217.4
[M+Na]+ 439.24148 224.2
[M+NH4]+ 434.28608 223.1
[M+K]+ 455.21542 220.5
[M-H]- 415.24498 218.5
[M+Na-2H]- 437.22693 224.2
[M]+ 416.25171 218.8
[M]- 416.25281 218.8
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