CID 159489

Sdz eab 515

Structural Information

Molecular Formula
C16H18NO5P
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2)CP(=O)(O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C16H18NO5P/c17-15(16(18)19)9-11-6-12(10-23(20,21)22)8-14(7-11)13-4-2-1-3-5-13/h1-8,15H,9-10,17H2,(H,18,19)(H2,20,21,22)/t15-/m0/s1
InChIKey
DSWZLNIYFFMRJD-HNNXBMFYSA-N
Compound name
(2S)-2-amino-3-[3-phenyl-5-(phosphonomethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

166
Patents

335.09225 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09953 177.5
[M+Na]+ 358.08147 186.2
[M+NH4]+ 353.12607 181.5
[M+K]+ 374.05541 183.5
[M-H]- 334.08497 177.7
[M+Na-2H]- 356.06692 181.3
[M]+ 335.09170 178.3
[M]- 335.09280 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe