CID 11483455

N-benzoyl-3-hydroxy-l-tyrosine

Structural Information

Molecular Formula
C16H15NO5
SMILES
C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC(=C(C=C2)O)O)C(=O)O
InChI
InChI=1S/C16H15NO5/c18-13-7-6-10(9-14(13)19)8-12(16(21)22)17-15(20)11-4-2-1-3-5-11/h1-7,9,12,18-19H,8H2,(H,17,20)(H,21,22)/t12-/m0/s1
InChIKey
WGTPJOPXQRPTDE-LBPRGKRZSA-N
Compound name
(2S)-2-benzamido-3-(3,4-dihydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

301.09503 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.102306 167.1
[M+Na]+ 324.084248 171.6
[M-H]- 300.087754 169.8
[M+NH4]+ 319.128853 179.1
[M+K]+ 340.058188 168.5
[M+H-H2O]+ 284.092290 159.6
[M+HCOO]- 346.093231 185.7
[M+CH3COO]- 360.108881 199.4
[M+Na-2H]- 322.069696 168.2
[M]+ 301.09448142 165.2
[M]- 301.09557858 165.2
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

patents stripe