CID 3837579

Brn 2397215

Structural Information

Molecular Formula
C16H28N2O6
SMILES
CCOC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)OCC
InChI
InChI=1S/C16H28N2O6/c1-3-23-15(21)11-17-13(19)9-7-5-6-8-10-14(20)18-12-16(22)24-4-2/h3-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKey
JFJSAUZBEXMLDQ-UHFFFAOYSA-N
Compound name
ethyl 2-[[8-[(2-ethoxy-2-oxoethyl)amino]-8-oxooctanoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.19473 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20201 184.3
[M+Na]+ 367.18395 185.6
[M-H]- 343.18745 182.9
[M+NH4]+ 362.22855 205.7
[M+K]+ 383.15789 185.7
[M+H-H2O]+ 327.19199 176.5
[M+HCOO]- 389.19293 206.4
[M+CH3COO]- 403.20858 216.6
[M+Na-2H]- 365.16940 182.1
[M]+ 344.19418 190.6
[M]- 344.19528 190.6
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

No patent data available for this compound.