CID 44250994

64265-41-4

Structural Information

Molecular Formula
C22H42N2O6
SMILES
CCCCCCCCCCCC(=O)NCCN(CCC(=O)O)CCOCCC(=O)O
InChI
InChI=1S/C22H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-20(25)23-14-16-24(15-12-21(26)27)17-19-30-18-13-22(28)29/h2-19H2,1H3,(H,23,25)(H,26,27)(H,28,29)
InChIKey
LPKRPOOXARHTRT-UHFFFAOYSA-N
Compound name
3-[2-(2-carboxyethoxy)ethyl-[2-(dodecanoylamino)ethyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2787
Patents

430.3043 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.31158 224.5
[M+Na]+ 453.29352 231.2
[M+NH4]+ 448.33812 228.2
[M+K]+ 469.26746 227.2
[M-H]- 429.29702 221.5
[M+Na-2H]- 451.27897 229.6
[M]+ 430.30375 224.7
[M]- 430.30485 224.7
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