CID 11989621

O-(2-nitrobenzyl)-l-tyrosine

Structural Information

Molecular Formula
C16H16N2O5
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C[C@@H](C(=O)O)N)[N+](=O)[O-]
InChI
InChI=1S/C16H16N2O5/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1
InChIKey
NLFOHNAFILVHGM-AWEZNQCLSA-N
Compound name
(2S)-2-amino-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

316.10593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11321 170.2
[M+Na]+ 339.09515 181.7
[M+NH4]+ 334.13975 176.0
[M+K]+ 355.06909 179.5
[M-H]- 315.09865 174.1
[M+Na-2H]- 337.08060 176.2
[M]+ 316.10538 172.6
[M]- 316.10648 172.6
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