CID 201646

L-n-benzoylglutamic acid 5-benzyl ester

Structural Information

Molecular Formula
C19H19NO5
SMILES
C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H19NO5/c21-17(25-13-14-7-3-1-4-8-14)12-11-16(19(23)24)20-18(22)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)(H,23,24)/t16-/m0/s1
InChIKey
PMEFERULLAYXGE-INIZCTEOSA-N
Compound name
(2S)-2-benzamido-5-oxo-5-phenylmethoxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1263 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 180.0
[M+Na]+ 364.11552 182.3
[M-H]- 340.11902 184.2
[M+NH4]+ 359.16012 191.0
[M+K]+ 380.08946 179.9
[M+H-H2O]+ 324.12356 171.1
[M+HCOO]- 386.12450 199.8
[M+CH3COO]- 400.14015 209.7
[M+Na-2H]- 362.10097 180.6
[M]+ 341.12575 180.5
[M]- 341.12685 180.5
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.