CID 34309

28709-70-8

Structural Information

Molecular Formula
C19H21NO4
SMILES
CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H21NO4/c1-2-23-18(21)17(13-15-9-5-3-6-10-15)20-19(22)24-14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKey
XLLUIEKQXIOPDX-KRWDZBQOSA-N
Compound name
ethyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

327.14706 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 178.8
[M+Na]+ 350.13628 181.8
[M-H]- 326.13978 184.4
[M+NH4]+ 345.18088 191.4
[M+K]+ 366.11022 179.5
[M+H-H2O]+ 310.14432 169.7
[M+HCOO]- 372.14526 200.7
[M+CH3COO]- 386.16091 209.0
[M+Na-2H]- 348.12173 180.9
[M]+ 327.14651 181.0
[M]- 327.14761 181.0
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.