CID 15714801

Methyl (2s)-2-amino-3-(4-phenylphenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C16H17NO2
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)N
InChI
InChI=1S/C16H17NO2/c1-19-16(18)15(17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15H,11,17H2,1H3/t15-/m0/s1
InChIKey
ZABGKWGFGXZMDE-HNNXBMFYSA-N
Compound name
methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

255.12593 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.133206 159.9
[M+Na]+ 278.115148 165.3
[M-H]- 254.118654 165.8
[M+NH4]+ 273.159753 175.8
[M+K]+ 294.089088 162.1
[M+H-H2O]+ 238.123190 152.0
[M+HCOO]- 300.124131 182.6
[M+CH3COO]- 314.139781 197.7
[M+Na-2H]- 276.100596 163.0
[M]+ 255.12538142 159.1
[M]- 255.12647858 159.1
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