CID 55455

N-(3-(1,1'-biphenyl)-4-yl-3-oxopropyl)glycine ethyl ester hydrochloride

Structural Information

Molecular Formula
C19H21NO3
SMILES
CCOC(=O)CNCCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H21NO3/c1-2-23-19(22)14-20-13-12-18(21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,20H,2,12-14H2,1H3
InChIKey
RATVWDDXEHBCEO-UHFFFAOYSA-N
Compound name
ethyl 2-[[3-oxo-3-(4-phenylphenyl)propyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 175.5
[M+Na]+ 334.14135 187.5
[M+NH4]+ 329.18595 182.2
[M+K]+ 350.11529 180.1
[M-H]- 310.14485 179.3
[M+Na-2H]- 332.12680 183.0
[M]+ 311.15158 178.1
[M]- 311.15268 178.1
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.