CID 55451

Glycine, n-(3-(4-chlorophenyl)-3-oxopropyl)-n-methyl-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C14H18ClNO3
SMILES
CCOC(=O)CN(C)CCC(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H18ClNO3/c1-3-19-14(18)10-16(2)9-8-13(17)11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKey
DZWKYGQEKHABJD-UHFFFAOYSA-N
Compound name
ethyl 2-[[3-(4-chlorophenyl)-3-oxopropyl]-methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09753 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.104806 163.9
[M+Na]+ 306.086748 170.2
[M-H]- 282.090254 168.5
[M+NH4]+ 301.131353 180.9
[M+K]+ 322.060688 167.8
[M+H-H2O]+ 266.094790 157.7
[M+HCOO]- 328.095731 183.0
[M+CH3COO]- 342.111381 204.9
[M+Na-2H]- 304.072196 165.5
[M]+ 283.09698142 170.3
[M]- 283.09807858 170.3
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

No patent data available for this compound.