CID 736312

Benzyl 3-phenyl-l-alaninate

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C16H17NO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/t15-/m0/s1
InChIKey
FPRSPUHXEPWUBZ-HNNXBMFYSA-N
Compound name
benzyl (2S)-2-amino-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1745
Patents

255.12593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.133206 160.0
[M+Na]+ 278.115148 164.6
[M-H]- 254.118654 165.6
[M+NH4]+ 273.159753 175.6
[M+K]+ 294.089088 161.3
[M+H-H2O]+ 238.123190 151.9
[M+HCOO]- 300.124131 182.8
[M+CH3COO]- 314.139781 196.6
[M+Na-2H]- 276.100596 163.9
[M]+ 255.12538142 158.9
[M]- 255.12647858 158.9
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.