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
2
Annotation Hits

0
References

114
Patents

341.1263 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.133576 180.2
[M+Na]+ 364.115518 183.3
[M-H]- 340.119024 185.7
[M+NH4]+ 359.160123 192.0
[M+K]+ 380.089458 181.1
[M+H-H2O]+ 324.123560 170.9
[M+HCOO]- 386.124501 202.5
[M+CH3COO]- 400.140151 210.4
[M+Na-2H]- 362.100966 182.4
[M]+ 341.12575142 183.1
[M]- 341.12684858 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