CID 3070193

L-tyrosine, n-(3-oxo-3-phenylpropyl)-, hydrochloride

Structural Information

Molecular Formula
C18H19NO4
SMILES
C1=CC=C(C=C1)C(=O)CCN[C@@H](CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C18H19NO4/c20-15-8-6-13(7-9-15)12-16(18(22)23)19-11-10-17(21)14-4-2-1-3-5-14/h1-9,16,19-20H,10-12H2,(H,22,23)/t16-/m0/s1
InChIKey
NANOWIQXMFJNHQ-INIZCTEOSA-N
Compound name
(2S)-3-(4-hydroxyphenyl)-2-[(3-oxo-3-phenylpropyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 173.3
[M+Na]+ 336.120618 176.5
[M-H]- 312.124124 176.5
[M+NH4]+ 331.165223 185.1
[M+K]+ 352.094558 172.8
[M+H-H2O]+ 296.128660 165.1
[M+HCOO]- 358.129601 192.4
[M+CH3COO]- 372.145251 204.6
[M+Na-2H]- 334.106066 174.3
[M]+ 313.13085142 172.0
[M]- 313.13194858 172.0
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.