CID 27056

3-benzoyl-n-(2-hydroxyethyl)alanine ethyl ester hydrochloride

Structural Information

Molecular Formula
C14H19NO4
SMILES
CCOC(=O)C(CC(=O)C1=CC=CC=C1)NCCO
InChI
InChI=1S/C14H19NO4/c1-2-19-14(18)12(15-8-9-16)10-13(17)11-6-4-3-5-7-11/h3-7,12,15-16H,2,8-10H2,1H3
InChIKey
KCHYDYXVZSBQPH-UHFFFAOYSA-N
Compound name
ethyl 2-(2-hydroxyethylamino)-4-oxo-4-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.1314 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 162.4
[M+Na]+ 288.12062 170.5
[M+NH4]+ 283.16522 167.6
[M+K]+ 304.09456 166.4
[M-H]- 264.12412 162.0
[M+Na-2H]- 286.10607 165.7
[M]+ 265.13085 162.9
[M]- 265.13195 162.9
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