CID 201645

234 dl

Structural Information

Molecular Formula
C19H19NO5
SMILES
C1=CC=C(C=C1)COC(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H19NO5/c21-17(22)12-11-16(20-18(23)15-9-5-2-6-10-15)19(24)25-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKey
UDOAIPMAMHNAKS-INIZCTEOSA-N
Compound name
(4S)-4-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 179.9
[M+Na]+ 364.11552 189.2
[M+NH4]+ 359.16012 184.6
[M+K]+ 380.08946 184.8
[M-H]- 340.11902 181.4
[M+Na-2H]- 362.10097 185.4
[M]+ 341.12575 181.2
[M]- 341.12685 181.2
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.