CID 3049486

Glycine, n-(3-oxo-3-(4-(pentyloxy)phenyl)propyl)-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C18H27NO4
SMILES
CCCCCOC1=CC=C(C=C1)C(=O)CCNCC(=O)OCC
InChI
InChI=1S/C18H27NO4/c1-3-5-6-13-23-16-9-7-15(8-10-16)17(20)11-12-19-14-18(21)22-4-2/h7-10,19H,3-6,11-14H2,1-2H3
InChIKey
FIYUDYJNEXBHEW-UHFFFAOYSA-N
Compound name
ethyl 2-[[3-oxo-3-(4-pentoxyphenyl)propyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.194 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.201276 179.7
[M+Na]+ 344.183218 183.0
[M-H]- 320.186724 181.9
[M+NH4]+ 339.227823 193.4
[M+K]+ 360.157158 180.9
[M+H-H2O]+ 304.191260 171.5
[M+HCOO]- 366.192201 201.5
[M+CH3COO]- 380.207851 211.8
[M+Na-2H]- 342.168666 180.2
[M]+ 321.19345142 185.4
[M]- 321.19454858 185.4
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.