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
2
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 222.0
[M+Na]+ 453.29352 231.1
[M-H]- 429.29702 220.1
[M+NH4]+ 448.33812 224.8
[M+K]+ 469.26746 225.2
[M+H-H2O]+ 413.30156 202.4
[M+HCOO]- 475.30250 223.2
[M+CH3COO]- 489.31815 234.5
[M+Na-2H]- 451.27897 210.9
[M]+ 430.30375 217.2
[M]- 430.30485 217.2
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