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
2
Annotation Hits

0
References

292
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 212.3
[M+Na]+ 439.24148 222.8
[M-H]- 415.24498 215.4
[M+NH4]+ 434.28608 219.5
[M+K]+ 455.21542 216.8
[M+H-H2O]+ 399.24952 214.2
[M+HCOO]- 461.25046 210.5
[M+CH3COO]- 475.26611 231.8
[M+Na-2H]- 437.22693 203.8
[M]+ 416.25171 208.0
[M]- 416.25281 208.0
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