CID 109626

68140-95-4

Structural Information

Molecular Formula
C20H38N2O6
SMILES
CCCCCCCCCCCC(=O)N(CCN(CCO)CC(=O)O)CC(=O)O
InChI
InChI=1S/C20H38N2O6/c1-2-3-4-5-6-7-8-9-10-11-18(24)22(17-20(27)28)13-12-21(14-15-23)16-19(25)26/h23H,2-17H2,1H3,(H,25,26)(H,27,28)
InChIKey
DTQUEXSYZYYHKK-UHFFFAOYSA-N
Compound name
2-[2-[carboxymethyl(dodecanoyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

402.27298 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.28026 200.9
[M+Na]+ 425.26220 224.4
[M+NH4]+ 420.30680 222.1
[M+K]+ 441.23614 220.2
[M-H]- 401.26570 216.4
[M+Na-2H]- 423.24765 196.5
[M]+ 402.27243 218.3
[M]- 402.27353 218.3
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