CID 3017464

63876-32-4

Structural Information

Molecular Formula
C17H25NO4
SMILES
CCOC(=O)CCCN(CC1=CC=CC=C1)CC(=O)OCC
InChI
InChI=1S/C17H25NO4/c1-3-21-16(19)11-8-12-18(14-17(20)22-4-2)13-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3
InChIKey
MLUXZXWFKYDTTJ-UHFFFAOYSA-N
Compound name
ethyl 4-[benzyl-(2-ethoxy-2-oxoethyl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

307.17834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.185616 176.1
[M+Na]+ 330.167558 179.2
[M-H]- 306.171064 179.7
[M+NH4]+ 325.212163 190.8
[M+K]+ 346.141498 178.7
[M+H-H2O]+ 290.175600 167.8
[M+HCOO]- 352.176541 198.8
[M+CH3COO]- 366.192191 210.4
[M+Na-2H]- 328.153006 177.0
[M]+ 307.17779142 182.3
[M]- 307.17888858 182.3
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