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]+ 322.20128 179.7
[M+Na]+ 344.18322 183.0
[M-H]- 320.18672 181.9
[M+NH4]+ 339.22782 193.4
[M+K]+ 360.15716 180.9
[M+H-H2O]+ 304.19126 171.5
[M+HCOO]- 366.19220 201.5
[M+CH3COO]- 380.20785 211.8
[M+Na-2H]- 342.16867 180.2
[M]+ 321.19345 185.4
[M]- 321.19455 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.