CID 57349059

342647-97-6

Structural Information

Molecular Formula
C19H19NO5
SMILES
C1=CC=C(C=C1)COC(=O)[C@@H](CC=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H19NO5/c21-12-11-17(18(22)24-13-15-7-3-1-4-8-15)20-19(23)25-14-16-9-5-2-6-10-16/h1-10,12,17H,11,13-14H2,(H,20,23)/t17-/m1/s1
InChIKey
DXBNGOWOMMHJKK-QGZVFWFLSA-N
Compound name
benzyl (2R)-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.1263 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 180.2
[M+Na]+ 364.11552 183.3
[M-H]- 340.11902 185.7
[M+NH4]+ 359.16012 192.0
[M+K]+ 380.08946 181.1
[M+H-H2O]+ 324.12356 170.9
[M+HCOO]- 386.12450 202.5
[M+CH3COO]- 400.14015 210.4
[M+Na-2H]- 362.10097 182.4
[M]+ 341.12575 183.1
[M]- 341.12685 183.1
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

patents stripe