CID 4175978

N,n'-(1,6-dioxo-1,6-hexanediyl)bisglycine diethyl ester

Structural Information

Molecular Formula
C14H24N2O6
SMILES
CCOC(=O)CNC(=O)CCCCC(=O)NCC(=O)OCC
InChI
InChI=1S/C14H24N2O6/c1-3-21-13(19)9-15-11(17)7-5-6-8-12(18)16-10-14(20)22-4-2/h3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKey
FQLCHRFTRNMPOC-UHFFFAOYSA-N
Compound name
ethyl 2-[[6-[(2-ethoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16342 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17070 175.3
[M+Na]+ 339.15264 177.5
[M-H]- 315.15614 174.3
[M+NH4]+ 334.19724 188.7
[M+K]+ 355.12658 178.0
[M+H-H2O]+ 299.16068 167.9
[M+HCOO]- 361.16162 196.8
[M+CH3COO]- 375.17727 210.7
[M+Na-2H]- 337.13809 174.1
[M]+ 316.16287 180.8
[M]- 316.16397 180.8
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.