CID 657677

Brn 2396354

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18636 179.8
[M+Na]+ 353.16830 181.6
[M-H]- 329.17180 178.6
[M+NH4]+ 348.21290 202.0
[M+K]+ 369.14224 181.9
[M+H-H2O]+ 313.17634 172.2
[M+HCOO]- 375.17728 203.0
[M+CH3COO]- 389.19293 213.7
[M+Na-2H]- 351.15375 178.1
[M]+ 330.17853 185.7
[M]- 330.17963 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.