CID 657677

92790-50-6

Structural Information

Molecular Formula

C₁₅H₂₆N₂O₆

SMILES

CCOC(=O)CNC(=O)CCCCCC(=O)NCC(=O)OCC

InChI

InChI=1S/C15H26N2O6/c1-3-22-14(20)10-16-12(18)8-6-5-7-9-13(19)17-11-15(21)23-4-2/h3-11H2,1-2H3,(H,16,18)(H,17,19)

InChIKey

UUQIOJKOAPDXTP-UHFFFAOYSA-N

Compound name

ethyl 2-[[7-[(2-ethoxy-2-oxoethyl)amino]-7-oxoheptanoyl]amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 330.17908 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	331.186356	179.8
[M+Na]+	353.168298	181.6
[M-H]-	329.171804	178.6
[M+NH4]+	348.212903	202.0
[M+K]+	369.142238	181.9
[M+H-H2O]+	313.176340	172.2
[M+HCOO]-	375.177281	203.0
[M+CH3COO]-	389.192931	213.7
[M+Na-2H]-	351.153746	178.1
[M]+	330.17853142	185.7
[M]-	330.17962858	185.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.