CID 49767931

L-tyrosine, n-[(2-naphthalenyloxy)acetyl]-, methyl ester

Structural Information

Molecular Formula
C22H21NO5
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)COC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C22H21NO5/c1-27-22(26)20(12-15-6-9-18(24)10-7-15)23-21(25)14-28-19-11-8-16-4-2-3-5-17(16)13-19/h2-11,13,20,24H,12,14H2,1H3,(H,23,25)/t20-/m0/s1
InChIKey
FNBDEKXISSCHCG-FQEVSTJZSA-N
Compound name
methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14197 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14925 189.0
[M+Na]+ 402.13119 192.8
[M-H]- 378.13469 194.4
[M+NH4]+ 397.17579 199.8
[M+K]+ 418.10513 189.6
[M+H-H2O]+ 362.13923 179.7
[M+HCOO]- 424.14017 208.0
[M+CH3COO]- 438.15582 218.8
[M+Na-2H]- 400.11664 191.2
[M]+ 379.14142 191.3
[M]- 379.14252 191.3
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.