CID 3070185

Dl-phenylalanine, n-(3-oxo-3-phenylpropyl)-

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NCCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H19NO3/c20-17(15-9-5-2-6-10-15)11-12-19-16(18(21)22)13-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,21,22)/t16-/m0/s1
InChIKey
MXXIYWNKNIKJAX-INIZCTEOSA-N
Compound name
(2S)-2-[(3-oxo-3-phenylpropyl)amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 170.6
[M+Na]+ 320.125718 173.5
[M-H]- 296.129224 174.8
[M+NH4]+ 315.170323 183.6
[M+K]+ 336.099658 169.9
[M+H-H2O]+ 280.133760 162.2
[M+HCOO]- 342.134701 191.1
[M+CH3COO]- 356.150351 203.5
[M+Na-2H]- 318.111166 172.8
[M]+ 297.13595142 169.4
[M]- 297.13704858 169.4
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.